diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
175 files changed, 2417 insertions, 0 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 new file mode 100644 index 000000000000..b5b5890a97fe --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=5 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.1.tar.gz -> GromacsWrapper-0.3.1.tar.gz +_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=e921ea15a84323d330fc2854328cec8f diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 new file mode 100644 index 000000000000..24d5171b6654 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=5 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.2.tar.gz -> GromacsWrapper-0.3.2.tar.gz +_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=840a28956515dd123ae927eec391e068 diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 new file mode 100644 index 000000000000..a23f25bfd811 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python framework for Gromacs +EAPI=6 +HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.5.1.tar.gz -> GromacsWrapper-0.5.1.tar.gz +_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=8f89ded435272409e2166c30238e3865 diff --git a/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 new file mode 100644 index 000000000000..c908e68667c7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=X-ray Fluorescence Toolkit +EAPI=5 +HOMEPAGE=http://pymca.sourceforge.net/ +IUSE=X hdf5 matplotlib python_targets_python2_7 +KEYWORDS=~x86 ~amd64 +LICENSE=GPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://sourceforge/project/pymca/pymca/PyMca4.6.2/pymca4.6.2-src.tgz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=862589e1ddd3f9ab76894b2e291399fa diff --git a/metadata/md5-cache/sci-chemistry/acpype-389 b/metadata/md5-cache/sci-chemistry/acpype-389 new file mode 100644 index 000000000000..c6143d0033f6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/acpype-389 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install prepare +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/ambertools +DESCRIPTION=AnteChamber PYthon Parser interfacE +EAPI=5 +HOMEPAGE=https://code.google.com/p/acpype/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/ambertools +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/acpype-389.tar.xz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=4316ec510e7606b575a036a6635bbeb5 diff --git a/metadata/md5-cache/sci-chemistry/ambertools-1.5-r1 b/metadata/md5-cache/sci-chemistry/ambertools-1.5-r1 new file mode 100644 index 000000000000..a12d97d60386 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ambertools-1.5-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup +DEPEND=virtual/cblas virtual/lapack sci-libs/clapack sci-libs/arpack sci-libs/cifparse-obj sci-chemistry/mopac7 sci-libs/netcdf sci-libs/fftw:2.1 sci-chemistry/reduce dev-util/byacc dev-libs/libf2c sys-devel/ucpp virtual/pkgconfig virtual/fortran +DESCRIPTION=A suite for carrying out complete molecular mechanics investigations +EAPI=4 +HOMEPAGE=http://ambermd.org/#AmberTools +IUSE=mpi openmp static-libs X +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=GPL-2 +RDEPEND=virtual/cblas virtual/lapack sci-libs/clapack sci-libs/arpack sci-libs/cifparse-obj sci-chemistry/mopac7 sci-libs/netcdf sci-libs/fftw:2.1 sci-chemistry/reduce virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=AmberTools-1.5.tar.bz2 mirror://gentoo/ambertools-1.5-bugfix_1-10.patch.xz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=face5396e3f79f899df4fa89c5c4c158 diff --git a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 new file mode 100644 index 000000000000..9a0019fa6f82 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.6.3 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +DESCRIPTION=Evaluation of electrostatic properties of nanoscale biomolecular systems +EAPI=5 +HOMEPAGE=http://www.poissonboltzmann.org/apbs/ +IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools python_targets_python2_7 +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] virtual/blas sys-libs/readline fetk? ( sci-libs/fetk sci-libs/amd sci-libs/umfpack sci-libs/superlu ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs python_targets_python2_7 ) python_targets_python2_7 +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/archive/74fcb8676de69ed04ddab8976a8b05a6caaf4d65.zip -> apbs-1.4.1.zip +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=b04838eb8d0fe55b17589c3ab6d29280 diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r2 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r2 new file mode 100644 index 000000000000..1cdde855b796 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=virtual/fortran +DESCRIPTION=Program suite in this distribution calculates restraint violations +EAPI=4 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=sci-chemistry/procheck virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz ) +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=88f7c9793971948219e83e5f935a023e diff --git a/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 new file mode 100644 index 000000000000..5096ac679909 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 @@ -0,0 +1,16 @@ +DEFINED_PHASES=install setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db +DESCRIPTION=Automated NOE assignment and NMR structure calculation +EAPI=5 +HOMEPAGE=http://aria.pasteur.fr/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=http://aria.pasteur.fr/archives/aria2.3.2_08.26.2013.tar.gz +_eclass_exported_funcs=pkg_setup:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=3618f8495068d3edb53c83c9dca1db93 diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 new file mode 100644 index 000000000000..d215769880c9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=test? ( || ( >=dev-lang/python-2.7.5-r2:2.7 ) ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A suite of automated docking tools +EAPI=5 +HOMEPAGE=http://autodock.scripps.edu/ +IUSE=examples openmp test +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +SLOT=0 +SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz +_eclass_exported_funcs=pkg_postinst:- pkg_setup:python-any-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 python-any-r1 be89e882151ba4b847089b860d79729c python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=237a416a34f2866e72cbf3f6e1457f06 diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 new file mode 100644 index 000000000000..a6b2fc9b8875 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/boost[threads] +DESCRIPTION=Program for drug discovery, molecular docking and virtual screening +EAPI=5 +HOMEPAGE=http://vina.scripps.edu/ +IUSE=debug +KEYWORDS=amd64 x86 +LICENSE=Apache-2.0 +RDEPEND=dev-libs/boost[threads] +SLOT=0 +SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5cede7d56a643e731ae4d39e6f4cba3d diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 new file mode 100644 index 000000000000..c4c554710c0e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=5 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +SLOT=0 +SRC_URI=mirror://sourceforge/avogadro/avogadro-1.0.3.tar.bz2 +_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5880813b48fcc7df89473546dcb583fc diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 new file mode 100644 index 000000000000..106c7b3f419f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=5 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/avogadro/avogadro-1.1.0.tar.bz2 +_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=bc22a570f5647cbd2f82f3be29beba7a diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 new file mode 100644 index 000000000000..8f28259c0fd3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) virtual/pkgconfig dev-cpp/eigen sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL +EAPI=6 +HOMEPAGE=http://avogadro.openmolecules.net/ +IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0 ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/project/avogadro/avogadro/1.1.1/avogadro-1.1.1.tar.bz2 +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5ddc6930f0dd55116dc171a743c5d445 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2 b/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2 new file mode 100644 index 000000000000..31cd88d21d97 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Advanced molecule editor and visualizer 2 +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/ +IUSE=doc rpc test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD GPL-2+ +RDEPEND=>=dev-cpp/eigen-3.2.0-r1 dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 ~sci-libs/avogadrolibs-0.7.2[qt4,opengl] sci-libs/hdf5 rpc? ( sci-chemistry/molequeue ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/project/avogadro/avogadro2/0.7.2/avogadroapp-0.7.2.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=0e0efdbe1bacc76f2ba3ec62489eae67 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0 b/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0 new file mode 100644 index 000000000000..d7d7b6373f1f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=dev-cpp/eigen-3.2.0-r1 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Advanced molecule editor and visualizer 2 +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/ +IUSE=doc rpc test vtk +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD GPL-2+ +RDEPEND=dev-qt/qtconcurrent:5 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtopengl:5 dev-qt/qtwidgets:5 ~sci-libs/avogadrolibs-0.8.0[qt5,opengl] sci-libs/hdf5 rpc? ( sci-chemistry/molequeue ) +RESTRICT=test +SLOT=0 +SRC_URI=mirror://sourceforge/project/avogadro/avogadro2/0.8.0/avogadroapp-0.8.0.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=66b7c986bd8ebc8e4ec399f86202f60d diff --git a/metadata/md5-cache/sci-chemistry/azara-2.8-r5 b/metadata/md5-cache/sci-chemistry/azara-2.8-r5 new file mode 100644 index 000000000000..7348490843ac --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/azara-2.8-r5 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install postinst prepare +DEPEND=x11-libs/libX11 x11-libs/motif:0 xpm? ( x11-libs/libXpm ) +DESCRIPTION=A suite of programmes to process and view NMR data +EAPI=5 +HOMEPAGE=http://www.bio.cam.ac.uk/azara/ +IUSE=xpm X python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=AZARA +RDEPEND=x11-libs/libX11 x11-libs/motif:0 xpm? ( x11-libs/libXpm ) +SLOT=0 +SRC_URI=http://www.bio.cam.ac.uk/ccpn/download/azara/azara-2.8-src.tgz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f3b0753973c1d97038bd19a2835862f7 diff --git a/metadata/md5-cache/sci-chemistry/ball-1.4.2-r1 b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r1 new file mode 100644 index 000000000000..6502a76fbc5d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 dev-qt/qtwebkit:4 media-libs/glew sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 ) dev-python/sip sys-devel/bison virtual/yacc sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Biochemical Algorithms Library +EAPI=6 +HOMEPAGE=http://www.ball-project.org/ +IUSE=cuda mpi +python sql test +threads python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=LGPL-2 GPL-3 +RDEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 dev-qt/qtwebkit:4 media-libs/glew sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 ) +REQUIRED_USE=python? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.ball-project.org/Downloads/v1.4.2/BALL-1.4.2.tar.xz +_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:- src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=247e7497c98dc5b7054f6ed24e941288 diff --git a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 new file mode 100644 index 000000000000..846a512137dc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Chemical drawing program +EAPI=5 +HOMEPAGE=http://bkchem.zirael.org/ +IUSE=cairo python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://bkchem.zirael.org/download/bkchem-0.14.0-pre2.tar.gz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=4cf3caa12dff715fc57363107b78662e diff --git a/metadata/md5-cache/sci-chemistry/bodr-10 b/metadata/md5-cache/sci-chemistry/bodr-10 new file mode 100644 index 000000000000..9087aaef040c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-10 @@ -0,0 +1,11 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-10.tar.bz2 +_eclass_exported_funcs=src_prepare:- src_configure:- +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/bodr-9-r1 b/metadata/md5-cache/sci-chemistry/bodr-9-r1 new file mode 100644 index 000000000000..d921e83e4c95 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-9-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-9.tar.bz2 +_eclass_exported_funcs=src_prepare:- src_configure:- +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 new file mode 100644 index 000000000000..242235ddcbff --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2 dev-util/indent virtual/pkgconfig doc? ( app-doc/doxygen ) test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Visualize multidimensional nuclear magnetic resonance (NMR) spectra +EAPI=5 +HOMEPAGE=http://burrow-owl.sourceforge.net/ +IUSE=doc examples static-libs test +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2 +SLOT=0 +SRC_URI=mirror://sourceforge/burrow-owl/burrow-owl-1.5.1.tar.gz examples? ( mirror://sourceforge/burrow-owl/burrow-demos.tar ) +_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee virtualx 171580f737f5aaf18fcb456548588066 +_md5_=5f0bc5f8fea2aeba8ccde1148ad9f789 diff --git a/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 new file mode 100644 index 000000000000..642e0bb3ec47 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install +DESCRIPTION=Analysis of NMR spectra and Computer Aided Resonance Assignment +EAPI=5 +HOMEPAGE=http://www.nmr.ch +IUSE=lua +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CARA +RDEPEND=!prefix? ( >=media-libs/fontconfig-2.10.92[abi_x86_32(-)] >=media-libs/freetype-2.5.0.1[abi_x86_32(-)] >=x11-libs/libICE-1.0.8-r1[abi_x86_32(-)] >=x11-libs/libSM-1.2.1-r1[abi_x86_32(-)] >=x11-libs/libX11-1.6.2[abi_x86_32(-)] >=x11-libs/libXcursor-1.1.14[abi_x86_32(-)] >=x11-libs/libXext-1.3.2[abi_x86_32(-)] >=x11-libs/libXi-1.7.2[abi_x86_32(-)] >=x11-libs/libXrandr-1.4.2[abi_x86_32(-)] >=x11-libs/libXrender-0.9.8[abi_x86_32(-)] ) virtual/libstdc++ lua? ( dev-lang/lua ) +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cara.nmr-software.org/downloads/cara_1.8.4_linux.gz https://dev.gentoo.org/~jlec/distfiles//Start1.2.cara.xz +_eclass_exported_funcs=src_install:- +_md5_=a3db6a9ce9e58ca7b5d739c5f5cba2ec diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 new file mode 100644 index 000000000000..e84b7348ec4a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/ccpn +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.1.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.1-150226.patch.xz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=380943e0bb762451710bbd61a5ef5ec0 diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 new file mode 100644 index 000000000000..19bd6d73af1e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/ccpn +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=1760015a8a3f27d8e6888f7b9e7f3892 diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 new file mode 100644 index 000000000000..fb277bc4fdb3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/ccpn +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150325.patch.xz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=380943e0bb762451710bbd61a5ef5ec0 diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 new file mode 100644 index 000000000000..68018e7a5be4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/ccpn +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150413.patch.xz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=380943e0bb762451710bbd61a5ef5ec0 diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 new file mode 100644 index 000000000000..7ca382e4ba1a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +DESCRIPTION=The Collaborative Computing Project for NMR +EAPI=5 +HOMEPAGE=http://www.ccpn.ac.uk/ccpn +IUSE=+opengl python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=|| ( CCPN LGPL-2.1 ) +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150421.patch.xz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 portability 2b88d3ecc35035a3b8ab628b49cafb0e python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=380943e0bb762451710bbd61a5ef5ec0 diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 new file mode 100644 index 000000000000..36f63d5bce4d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt media-gfx/imagemagick[xml,png,svg] media-gfx/inkscape virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=5 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:- src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:autotools-utils +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c fdo-mime 21ef5adf81836863efa968f2a25cff64 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=05c326368174a5f93dea291b476ac17f diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 new file mode 100644 index 000000000000..8389c6efecf2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=configure postinst postrm preinst prepare +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 dev-util/desktop-file-utils x11-misc/shared-mime-info +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=6 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 ~arm x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclass_exported_funcs=pkg_preinst:xdg pkg_postrm:xdg pkg_postinst:xdg src_prepare:- src_configure:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg 6cd76cc914c1a759dee032778487b57f xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=589fff6de59483b9274d77cdedf8c005 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 new file mode 100644 index 000000000000..088503991e96 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=4 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=amd64 ppc x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.13.tar.gz +_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=0419d3fd05ddf3d1ba49544e92c6f6e4 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 new file mode 100644 index 000000000000..ae58165d3074 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=5 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz +_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=e9b083053d5fe0e1f7cf3a6f14238366 diff --git a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 new file mode 100644 index 000000000000..c255fc1abd47 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install prepare +DEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +DESCRIPTION=Build lists of van der Waals clashes from an input PDB file +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +RDEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +SLOT=0 +SRC_URI=mirror://gentoo/molprobity-3.17.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_md5_=a77e7433a491d66a2fbf450027a02d66 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 new file mode 100644 index 000000000000..ec3d5547c13b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=8d18d1acbf26b98dedd17ce5f26b5f45 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 new file mode 100644 index 000000000000..921ad7fcc3f4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=5 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=08b47969621aa7aec0ce1305311b8854 diff --git a/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 new file mode 100644 index 000000000000..a75e64091937 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install postinst prepare setup test +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Crystallography and NMR System +EAPI=5 +HOMEPAGE=http://cns.csb.yale.edu/ +IUSE=aria openmp +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch test +SLOT=0 +SRC_URI=cns_solve_1.21_all-mp.tar.gz aria? ( aria2.3.2.tar.gz ) +_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5916cc396ab6f9cc576a6b6ad324cca0 diff --git a/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 new file mode 100644 index 000000000000..e734035f8e56 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install postinst prepare setup test +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Crystallography and NMR System +EAPI=5 +HOMEPAGE=http://cns.csb.yale.edu/ +IUSE=aria openmp +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=cns +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=cns_solve_1.3_all.tar.gz aria? ( aria2.3.1.tar.gz ) +_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=37e7e7a3bac4cfcc2fd11c1701ec9719 diff --git a/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 new file mode 100644 index 000000000000..dbc535a7f163 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test unpack +DEPEND=sci-libs/libccp4 sci-libs/clipper >=sci-libs/coot-data-2 >=sci-libs/gsl-1.3 sci-libs/fftw:2.1= sci-libs/mmdb:2 sci-libs/monomer-db sci-libs/ssm sci-chemistry/reduce sci-chemistry/probe gnome-base/libgnomecanvas gnome-base/librsvg:2 media-libs/libpng:0= media-libs/freeglut x11-libs/gtk+:2 x11-libs/goocanvas:0 x11-libs/gtkglext virtual/opengl <dev-scheme/guile-2 dev-scheme/net-http dev-scheme/guile-gui >=dev-scheme/guile-lib-0.1.6 dev-scheme/guile-www >=x11-libs/guile-gtk-2.1 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-db/sqlite:3 dev-libs/boost:0=[python,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-libs/glib:2 >=dev-libs/gmp-4.2.2-r2:0= dev-python/pygobject:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/pygtk:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=net-misc/curl-7.19.6 net-dns/libidn sys-libs/readline:0= virtual/pkgconfig >=sys-devel/libtool-2.4-r2 dev-lang/swig sys-devel/bc test? ( dev-scheme/greg ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Crystallographic Object-Oriented Toolkit +EAPI=5 +HOMEPAGE=https://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/ +IUSE=+openmp static-libs test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/libccp4 sci-libs/clipper >=sci-libs/coot-data-2 >=sci-libs/gsl-1.3 sci-libs/fftw:2.1= sci-libs/mmdb:2 sci-libs/monomer-db sci-libs/ssm sci-chemistry/reduce sci-chemistry/probe gnome-base/libgnomecanvas gnome-base/librsvg:2 media-libs/libpng:0= media-libs/freeglut x11-libs/gtk+:2 x11-libs/goocanvas:0 x11-libs/gtkglext virtual/opengl <dev-scheme/guile-2 dev-scheme/net-http dev-scheme/guile-gui >=dev-scheme/guile-lib-0.1.6 dev-scheme/guile-www >=x11-libs/guile-gtk-2.1 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-db/sqlite:3 dev-libs/boost:0=[python,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-libs/glib:2 >=dev-libs/gmp-4.2.2-r2:0= dev-python/pygobject:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/pygtk:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=net-misc/curl-7.19.6 net-dns/libidn sys-libs/readline:0= +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=http://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/source/releases/coot-0.8.2.tar.gz test? ( https://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/data/greg-data.tar.gz -> coot-0.8.2-greg-data.tar.gz ) +_eclass_exported_funcs=pkg_setup:- src_unpack:- src_prepare:- src_configure:- src_compile:autotools-utils src_test:- src_install:autotools-utils +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=2b74cc623f0547672a5c896cb7d9b4f7 diff --git a/metadata/md5-cache/sci-chemistry/cyana-2.1 b/metadata/md5-cache/sci-chemistry/cyana-2.1 new file mode 100644 index 000000000000..ff251774fc4c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cyana-2.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-lang/ifc virtual/fortran +DESCRIPTION=Combined assignment and dynamics algorithm for NMR applications +EAPI=5 +HOMEPAGE=http://www.las.jp/english/products/cyana.html +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CYANA +RDEPEND=dev-lang/ifc virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=cyana-2.1.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=58f23015b8fe7a1f54ba97958be388d6 diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 new file mode 100644 index 000000000000..e12571d6a03e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare +DEPEND=dev-libs/boost:=[threads] +DESCRIPTION=The protein secondary structure standard +EAPI=5 +HOMEPAGE=http://swift.cmbi.ru.nl/gv/dssp/ +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=Boost-1.0 +RDEPEND=dev-libs/boost:=[threads] +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f83028ea6850b69936de86015c728dd0 diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 new file mode 100644 index 000000000000..da4aa2d20c40 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=x11-libs/gtk+:2 app-text/ghostscript-gpl media-gfx/pstoedit dev-lang/perl virtual/pkgconfig +DESCRIPTION=Chemical structure drawing program - focused on presentation +EAPI=5 +HOMEPAGE=http://easychem.sourceforge.net/ +KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=x11-libs/gtk+:2 app-text/ghostscript-gpl media-gfx/pstoedit +SLOT=0 +SRC_URI=mirror://sourceforge/easychem/easychem-0.6.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=3c80a70aad976144c2b5b6cd1f70ee25 diff --git a/metadata/md5-cache/sci-chemistry/eden-5.3-r2 b/metadata/md5-cache/sci-chemistry/eden-5.3-r2 new file mode 100644 index 000000000000..0aa8c6a8e52a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/eden-5.3-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=sci-libs/fftw:2.1 sci-libs/gsl virtual/pkgconfig +DESCRIPTION=A crystallographic real-space electron-density refinement and optimization program +EAPI=5 +HOMEPAGE=http://www.gromacs.org/pipermail/eden-users/ +IUSE=double-precision python_targets_python2_7 +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=sci-libs/fftw:2.1 sci-libs/gsl +SLOT=0 +SRC_URI=mirror://gentoo/eden_V5.3.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=592ea26ad1ab2e8ca514f5c8e45ffba2 diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r1 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r1 new file mode 100644 index 000000000000..016735ca1a0b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DEPEND=x11-libs/xforms +DESCRIPTION=periodic table of the elements +EAPI=0 +HOMEPAGE=http://elem.sourceforge.net/ +KEYWORDS=amd64 sparc x86 +LICENSE=GPL-2 +RDEPEND=x11-libs/xforms +SLOT=0 +SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=57b3d68ddd95cbb1bd0341aa46fc61fa diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 new file mode 100644 index 000000000000..7dece0d6d426 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DEPEND=x11-libs/xforms +DESCRIPTION=periodic table of the elements +EAPI=0 +HOMEPAGE=http://elem.sourceforge.net/ +KEYWORDS=~amd64 ~sparc ~x86 +LICENSE=GPL-2 +RDEPEND=x11-libs/xforms +SLOT=0 +SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=0276c694a657f3c3fb4e82582e043545 diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.10 b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 new file mode 100644 index 000000000000..1d247b176fe7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 @@ -0,0 +1,13 @@ +DEFINED_PHASES=prepare setup +DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.4 >=dev-lang/python-2.7.5-r2:2.7 ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry +EAPI=6 +HOMEPAGE=http://www.freeon.org +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran +SLOT=0 +SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.10.tar.bz2 +_eclass_exported_funcs=pkg_setup:python-any-r1 src_prepare:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 python-any-r1 be89e882151ba4b847089b860d79729c python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a8bd9cc920409c87d9a895cb7d6f9c7f diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 b/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 new file mode 100644 index 000000000000..6a359671b7c2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.4 >=dev-lang/python-2.7.5-r2:2.7 ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry +EAPI=5 +HOMEPAGE=http://www.freeon.org +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran +SLOT=0 +SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.8.tar.bz2 +_eclass_exported_funcs=pkg_setup:python-any-r1 src_prepare:autotools-utils src_configure:autotools-utils src_compile:autotools-utils src_test:autotools-utils src_install:autotools-utils +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 python-any-r1 be89e882151ba4b847089b860d79729c python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=26e2cd729d127cc032a2600a85eea7de diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 new file mode 100644 index 000000000000..d913fe58220c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=amd64 x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc246.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=de02ad242fcd105a948a6966f70f0395 diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 new file mode 100644 index 000000000000..0b31622ce580 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=~amd64 ~x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc247.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=01666c2faf39ab5b987020ca82b48d11 diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 new file mode 100644 index 000000000000..5222243be3e1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=~amd64 ~x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc248.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=7deacca9e5961729a40da9aa988be1df diff --git a/metadata/md5-cache/sci-chemistry/gamess-20110811.1 b/metadata/md5-cache/sci-chemistry/gamess-20110811.1 new file mode 100644 index 000000000000..45a0cf02cf9b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gamess-20110811.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install postinst prepare setup unpack +DEPEND=app-shells/tcsh mpi? ( virtual/mpi ) virtual/blas virtual/pkgconfig virtual/fortran +DESCRIPTION=A powerful quantum chemistry package +EAPI=4 +HOMEPAGE=http://www.msg.chem.iastate.edu/GAMESS/GAMESS.html +IUSE=mpi neo pax_kernel qmmm-tinker +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=gamess +RDEPEND=app-shells/tcsh mpi? ( virtual/mpi ) virtual/blas net-misc/openssh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=gamess-20110811.1.tar.gz qmmm-tinker? ( tinker.tar.Z ) +_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_unpack:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 pax-utils 4f95120230a315c8caaabeb2307b7eee toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=616b6a58fbf70670a0d3fae65ba3ef34 diff --git a/metadata/md5-cache/sci-chemistry/gamessq-1.2 b/metadata/md5-cache/sci-chemistry/gamessq-1.2 new file mode 100644 index 000000000000..5bd90f6b6611 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gamessq-1.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install +DEPEND=x11-libs/wxGTK:2.8 +DESCRIPTION=Simple job manager for GAMESS-US +EAPI=5 +HOMEPAGE=http://www.msg.chem.iastate.edu/GAMESS/GamessQ/ +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=x11-libs/wxGTK:2.8 +SLOT=0 +SRC_URI=http://www.msg.chem.iastate.edu/GAMESS/GamessQ/download/gamessq-1.2.tar.gz +_eclass_exported_funcs=src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=04a7e1268d783ffec88e0b2be4706f6d diff --git a/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 new file mode 100644 index 000000000000..89a483cbe858 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 virtual/pkgconfig sys-devel/gettext dev-util/intltool doc? ( app-doc/doxygen ) >=sys-apps/sed-4 +DESCRIPTION=Periodic table viewer with detailed information on the chemical elements +EAPI=5 +HOMEPAGE=http://freecode.com/projects/gelemental/ +IUSE=doc static-libs +KEYWORDS=amd64 x86 +LICENSE=GPL-3 MIT +RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 +SLOT=0 +SRC_URI=http://www.kdau.com/files/gelemental-1.2.0.tar.bz2 mirror://debian/pool/main/g/gelemental/gelemental_1.2.0-8.debian.tar.gz +_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c fdo-mime 21ef5adf81836863efa968f2a25cff64 flag-o-matic 61cad4fb5d800b29d484b27cb033f59b gnome2-utils fe8e9099c6fc74a40946623c593c7236 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=c12aedd5631001f3b869d124c29e80a7 diff --git a/metadata/md5-cache/sci-chemistry/ghemical-2.99.2-r2 b/metadata/md5-cache/sci-chemistry/ghemical-2.99.2-r2 new file mode 100644 index 000000000000..d3f79f93215f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ghemical-2.99.2-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install prepare +DEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-2.99 >=x11-libs/liboglappth-0.98 virtual/opengl x11-libs/pango x11-libs/gtk+:2 x11-libs/gtkglext openbabel? ( sci-chemistry/openbabel ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Chemical quantum mechanics and molecular mechanics +EAPI=3 +HOMEPAGE=http://bioinformatics.org/ghemical/ +IUSE=openbabel seamonkey threads +KEYWORDS=amd64 ppc x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-2.99 >=x11-libs/liboglappth-0.98 virtual/opengl x11-libs/pango x11-libs/gtk+:2 x11-libs/gtkglext openbabel? ( sci-chemistry/openbabel ) +SLOT=0 +SRC_URI=http://bioinformatics.org/ghemical/download/current/ghemical-2.99.2.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=c55c2e7ab3ce8624781f3bbb4c2d6081 diff --git a/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 b/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 new file mode 100644 index 000000000000..aa55d0a0b079 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install prepare +DEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-3.0.0 >=x11-libs/liboglappth-1.0.0 virtual/opengl x11-libs/pango x11-libs/gtk+:2 x11-libs/gtkglext openbabel? ( sci-chemistry/openbabel ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Chemical quantum mechanics and molecular mechanics +EAPI=3 +HOMEPAGE=http://bioinformatics.org/ghemical/ +IUSE=openbabel seamonkey threads +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-3.0.0 >=x11-libs/liboglappth-1.0.0 virtual/opengl x11-libs/pango x11-libs/gtk+:2 x11-libs/gtkglext openbabel? ( sci-chemistry/openbabel ) +SLOT=0 +SRC_URI=http://bioinformatics.org/ghemical/download/current/ghemical-3.0.0.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=0c0e90a406e7e545afd66a6f79962aad diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 new file mode 100644 index 000000000000..4c4cd8ed29d6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) virtual/pkgconfig +DESCRIPTION=Periodic table application for Linux +EAPI=4 +HOMEPAGE=http://www.frantz.fi/software/gperiodic.php +IUSE=nls +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) +SLOT=0 +SRC_URI=http://www.frantz.fi/software/gperiodic-2.0.10.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=8ecd12d431782b369384c6d51da05864 diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 new file mode 100644 index 000000000000..d0297f20fdde --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) virtual/pkgconfig +DESCRIPTION=Periodic table application for Linux +EAPI=5 +HOMEPAGE=http://www.frantz.fi/software/gperiodic.php +IUSE=nls linguas_be linguas_bg linguas_cs linguas_da linguas_de linguas_es linguas_fi linguas_fr linguas_gl linguas_id linguas_is linguas_it linguas_lt linguas_ms linguas_nl linguas_pl linguas_pt_BR linguas_pt linguas_ru linguas_sv linguas_tr linguas_uk +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) +SLOT=0 +SRC_URI=http://downloads.sourceforge.net/project/gperiodic/gperiodic-3.0.1.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=b567b0c1a782c863b0434abdd5ad081c diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016 b/metadata/md5-cache/sci-chemistry/gromacs-2016 new file mode 100644 index 000000000000..9f42390957d9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2016 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.tar.gz ) +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=48fd7a7cf74fb6969ccff0c6ff70b24b diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.1 b/metadata/md5-cache/sci-chemistry/gromacs-2016.1 new file mode 100644 index 000000000000..1978e71f1928 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2016.1 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.1.tar.gz ) +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=c2be3532fdbe2814ab89d90422851db3 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.2 b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 new file mode 100644 index 000000000000..5f86417c0a84 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-libs/tinyxml2 dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2016.2 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.2.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2016.2.tar.gz ) +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=5212050657b3f26393bbe5893bce12d4 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 new file mode 100644 index 000000000000..3ce446ec9efe --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2016.9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? 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( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/2016.9999 +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=c2be3532fdbe2814ab89d90422851db3 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-4.6.9999 b/metadata/md5-cache/sci-chemistry/gromacs-4.6.9999 new file mode 100644 index 000000000000..47ee436d2d6e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-4.6.9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) gsl? ( sci-libs/gsl ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick sys-apps/coreutils ) doc? ( app-doc/doxygen ) dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmp +single-precision test +threads zsh-completion cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) gsl? ( sci-libs/gsl ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/4.6.9999 +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b91d2b9728a2a95f1c1641c83083800e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.0.4 b/metadata/md5-cache/sci-chemistry/gromacs-5.0.4 new file mode 100644 index 000000000000..407c53df05c2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.0.4 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=5 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas boost cuda +doc -double-precision +fftw lapack +make-symlinks mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~alpha amd64 arm ppc64 ~sparc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/5.0.4 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.0.4.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-5.0.4.tar.gz ) +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo 589f4c6d735919e293942dd66311dc40 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5af63710ab48cc788ab5505429b5a9a5 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.0.9999 b/metadata/md5-cache/sci-chemistry/gromacs-5.0.9999 new file mode 100644 index 000000000000..c7be1409daa1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.0.9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? 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( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/5.0.9999 +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b3c4d2f764e6a8dde6036863a4579da6 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 b/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 new file mode 100644 index 000000000000..e6c0c9118dca --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.1.3 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/5.1.3 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.3.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-5.1.3.tar.gz ) +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=545df266f1a380cf3f50540e56935279 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 b/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 new file mode 100644 index 000000000000..fbc6b225073d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-5.1.9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) boost? ( >=dev-libs/boost-1.55 ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/5.1.9999 +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=545df266f1a380cf3f50540e56935279 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 new file mode 100644 index 000000000000..086b2f2961ec --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) mkl? ( !blas !fftw !lapack ) +SLOT=0/9999 +_eclass_exported_funcs=pkg_pretend:- pkg_postinst:- src_unpack:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c readme.gentoo-r1 6f03e110529650f57fc7d1fb908b8986 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=b5cb7d761690d828757cac1bddae3f80 diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3 b/metadata/md5-cache/sci-chemistry/gsim-21.3 new file mode 100644 index 000000000000..7248919404e7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gsim-21.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare unpack +DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig +DESCRIPTION=Programm for visualisation and processing of experimental and simulated NMR spectra +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/gsim/ +IUSE=emf opengl +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) +SLOT=0 +SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz +_eclass_exported_funcs=src_unpack:qt4-r2 src_prepare:- src_configure:qt4-r2 src_compile:qt4-r2 src_install:- +_eclasses_=base df2aa567b3f0595aae0d0923889f7631 eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 qmake-utils ea78a9056543346cdc8cbbd07f16c6fb qt4-r2 b7985a3197fbc3a22d059f19904e735b toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=952b237476b1e3b1d25e73077cf5ea4f diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 new file mode 100644 index 000000000000..21b64997affe --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=configure install prepare +DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig +DESCRIPTION=Visualisation and processing of experimental and simulated NMR spectra +EAPI=6 +HOMEPAGE=https://sourceforge.net/projects/gsim/ +IUSE=cpu_flags_x86_sse3 emf opengl +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) +REQUIRED_USE=cpu_flags_x86_sse3 +SLOT=0 +SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 qmake-utils ea78a9056543346cdc8cbbd07f16c6fb toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=59b517da10ba489e93fb59b712f13c32 diff --git a/metadata/md5-cache/sci-chemistry/gtk-gamess-2.00 b/metadata/md5-cache/sci-chemistry/gtk-gamess-2.00 new file mode 100644 index 000000000000..9add7d66d83b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gtk-gamess-2.00 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DEPEND=gnome-base/libglade:2.0 x11-libs/gtk+:2 dev-libs/libxml2:2 sci-chemistry/gamess virtual/pkgconfig +DESCRIPTION=GUI for GAMESS, a General Atomic and Molecular Electronic Structure System +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/gtk-gamess/ +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=gnome-base/libglade:2.0 x11-libs/gtk+:2 dev-libs/libxml2:2 sci-chemistry/gamess +SLOT=0 +SRC_URI=mirror://sourceforge/gtk-gamess/gtk-gamess-2.00.tar.gz +_eclass_exported_funcs=src_install:- +_md5_=02014091cb3a1ed935b48b392ab40602 diff --git a/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 new file mode 100644 index 000000000000..051b20d06883 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip +DESCRIPTION=Production of surface images of proteins +EAPI=5 +HOMEPAGE=http://hollow.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://hollow.sourceforge.net/hollow-1.2.zip +_eclass_exported_funcs=src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f30b26c5e318f9cc07d344abd4c9fde2 diff --git a/metadata/md5-cache/sci-chemistry/icm-3.7.2e b/metadata/md5-cache/sci-chemistry/icm-3.7.2e new file mode 100644 index 000000000000..52453ec4f274 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/icm-3.7.2e @@ -0,0 +1,16 @@ +DEFINED_PHASES=install postinst unpack +DEPEND=app-arch/unzip vim-syntax? ( || ( app-editors/vim app-editors/gvim ) ) amd64? ( 64bit? ( =media-libs/tiff-3* media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 media-libs/libpng:1.2 || ( virtual/jpeg:62 media-libs/jpeg:62 ) x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) 32bit? ( virtual/libstdc++:3.3 >=x11-libs/libX11-1.6.2[abi_x86_32(-)] ) ) x86? ( =media-libs/tiff-3* media-libs/libpng:1.2 media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) +DESCRIPTION=MolSoft LCC ICM Pro +EAPI=5 +HOMEPAGE=http://www.molsoft.com/icm_pro.html +IUSE=32bit 64bit vim-syntax +KEYWORDS=~amd64 ~x86 +LICENSE=MolSoft +RDEPEND=app-arch/unzip vim-syntax? ( || ( app-editors/vim app-editors/gvim ) ) amd64? ( 64bit? ( =media-libs/tiff-3* media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 media-libs/libpng:1.2 || ( virtual/jpeg:62 media-libs/jpeg:62 ) x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) 32bit? ( virtual/libstdc++:3.3 >=x11-libs/libX11-1.6.2[abi_x86_32(-)] ) ) x86? ( =media-libs/tiff-3* media-libs/libpng:1.2 media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) +REQUIRED_USE=^^ ( ( !32bit 64bit ) ( 32bit !64bit ) ( 32bit 64bit ) ) +RESTRICT=fetch +SLOT=0 +SRC_URI=icm-3.7-2e-linux.sh +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee unpacker f40f7b4bd5aa88c2a4ba7b0d1e0ded70 versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b820f9617071da2dda7c78b743753e8f diff --git a/metadata/md5-cache/sci-chemistry/icm-3.7.3b b/metadata/md5-cache/sci-chemistry/icm-3.7.3b new file mode 100644 index 000000000000..1de9697d2048 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/icm-3.7.3b @@ -0,0 +1,16 @@ +DEFINED_PHASES=install postinst unpack +DEPEND=app-arch/unzip vim-syntax? ( || ( app-editors/vim app-editors/gvim ) ) amd64? ( 64bit? ( =media-libs/tiff-3* media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 media-libs/libpng:1.2 || ( virtual/jpeg:62 media-libs/jpeg:62 ) x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) 32bit? ( virtual/libstdc++:3.3 >=x11-libs/libX11-1.6.2[abi_x86_32(-)] ) ) x86? ( =media-libs/tiff-3* media-libs/libpng:1.2 media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) +DESCRIPTION=MolSoft LCC ICM Pro +EAPI=5 +HOMEPAGE=http://www.molsoft.com/icm_pro.html +IUSE=32bit 64bit vim-syntax +KEYWORDS=~amd64 ~x86 +LICENSE=MolSoft +RDEPEND=app-arch/unzip vim-syntax? ( || ( app-editors/vim app-editors/gvim ) ) amd64? ( 64bit? ( =media-libs/tiff-3* media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 media-libs/libpng:1.2 || ( virtual/jpeg:62 media-libs/jpeg:62 ) x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) 32bit? ( virtual/libstdc++:3.3 >=x11-libs/libX11-1.6.2[abi_x86_32(-)] ) ) x86? ( =media-libs/tiff-3* media-libs/libpng:1.2 media-libs/libmng app-crypt/mit-krb5 app-arch/bzip2 x11-libs/libdrm x11-libs/libX11 sys-apps/keyutils ) +REQUIRED_USE=^^ ( ( !32bit 64bit ) ( 32bit !64bit ) ( 32bit 64bit ) ) +RESTRICT=fetch +SLOT=0 +SRC_URI=icm-3.7-3b-linux.sh +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee unpacker f40f7b4bd5aa88c2a4ba7b0d1e0ded70 versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b820f9617071da2dda7c78b743753e8f diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 new file mode 100644 index 000000000000..9feb3717c93c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup +DEPEND=>=virtual/jdk-1.4 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2 +DESCRIPTION=Java molecular viever for 3-D chemical structures +EAPI=5 +HOMEPAGE=http://jmol.sourceforge.net/ +IUSE=client-only vhosts elibc_FreeBSD elibc_FreeBSD +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2.1 +RDEPEND=>=virtual/jre-1.4 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 +SLOT=0 +SRC_URI=mirror://sourceforge/jmol/Jmol-12.0.45-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar +_eclass_exported_funcs=pkg_prerm:- pkg_preinst:java-pkg-2 pkg_postinst:- pkg_setup:- src_prepare:- src_configure:java-ant-2 src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c java-ant-2 799c0d56dcbae3a3339f5a6b7585d5d6 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 webapp a76ebd3cb5649737496e8238992dd7ca +_md5_=e5be2ed02e2c454e5aae9177da649849 diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 new file mode 100644 index 000000000000..650ba0ba9162 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup +DEPEND=>=virtual/jdk-1.5 dev-java/saxon:6.5 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2 +DESCRIPTION=Java molecular viever for 3-D chemical structures +EAPI=5 +HOMEPAGE=http://jmol.sourceforge.net/ +IUSE=+client-only vhosts elibc_FreeBSD elibc_FreeBSD +KEYWORDS=~x86 ~amd64 +LICENSE=LGPL-2.1 +RDEPEND=>=virtual/jre-1.5 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 +SLOT=0 +SRC_URI=mirror://sourceforge/jmol/Jmol-12.2.27-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar +_eclass_exported_funcs=pkg_prerm:- pkg_preinst:java-pkg-2 pkg_postinst:- pkg_setup:- src_prepare:- src_configure:java-ant-2 src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c java-ant-2 799c0d56dcbae3a3339f5a6b7585d5d6 java-pkg-2 c4e6af2574fd1dc79b43a6e27af4b5fb java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 webapp a76ebd3cb5649737496e8238992dd7ca +_md5_=de2dedca3cc13b31429da06c08257045 diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728 b/metadata/md5-cache/sci-chemistry/ksdssp-040728 new file mode 100644 index 000000000000..f76664d8218d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DEPEND=sci-libs/libpdb++ app-arch/sharutils +DESCRIPTION=ksdssp is an open source implementation of dssp +EAPI=4 +HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=sci-libs/libpdb++ +SLOT=0 +SRC_URI=mirror://gentoo/ksdssp-040728.shar +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=9341a83847fb51ec937947def46188ac diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 new file mode 100644 index 000000000000..5a42d9b63b82 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DEPEND=sci-libs/libpdb++ app-arch/sharutils +DESCRIPTION=An open source implementation of sci-chemistry/dssp +EAPI=4 +HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=sci-libs/libpdb++ +SLOT=0 +SRC_URI=mirror://gentoo/ksdssp-040728.shar +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=6bb092702547ffcfeb08d0f5ac9988de diff --git a/metadata/md5-cache/sci-chemistry/mars-1.2 b/metadata/md5-cache/sci-chemistry/mars-1.2 new file mode 100644 index 000000000000..5401420b3dd2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mars-1.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install +DESCRIPTION=Robust automatic backbone assignment of proteins +EAPI=4 +HOMEPAGE=http://www.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=all-rights-reserved +RDEPEND=sci-biology/psipred +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.mpibpc.mpg.de/groups/zweckstetter/_software_files/_mars/mars-1.2_linux.tar.gz +_eclass_exported_funcs=src_install:- +_md5_=e01a256527afa2d3dd3fe9840c6af7e8 diff --git a/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 new file mode 100644 index 000000000000..36bd811a268a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=doc? ( virtual/latex-base ) sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Software suite to predict/analyze mass spectrometric data on (bio)polymers +EAPI=5 +HOMEPAGE=http://massxpert.org +IUSE=debug doc linguas_fr +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=dev-qt/qtsvg:4[debug?] +SLOT=0 +SRC_URI=http://download.tuxfamily.org/massxpert/source/massxpert-3.4.0.tar.bz2 +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=31326aa0656bc3c6502af19adba4a4eb diff --git a/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 new file mode 100644 index 000000000000..8bab98528ee5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories +EAPI=5 +HOMEPAGE=http://www.mdanalysis.org/ +IUSE=test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://mdanalysis.googlecode.com/files/MDAnalysis-0.7.7.tar.gz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=9997890a6edc2e5541f8e85e72ec797f diff --git a/metadata/md5-cache/sci-chemistry/mead-2.2.7 b/metadata/md5-cache/sci-chemistry/mead-2.2.7 new file mode 100644 index 000000000000..f31c8cef9a54 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mead-2.2.7 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DESCRIPTION=Macroscopic Electrostatics with Atomic Detail +EAPI=0 +HOMEPAGE=http://www.teokem.lu.se/~ulf/Methods/mead.html +IUSE=python +KEYWORDS=~x86 +LICENSE=GPL-2 +RESTRICT=fetch +SLOT=0 +SRC_URI=ftp://ftp.scripps.edu/pub/bashford/mead-2.2.7.tar.gz +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=5a3dfa1cbb5c4c230241e91b0d9b6fbc diff --git a/metadata/md5-cache/sci-chemistry/mead-2.2.7-r1 b/metadata/md5-cache/sci-chemistry/mead-2.2.7-r1 new file mode 100644 index 000000000000..f31c8cef9a54 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mead-2.2.7-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install unpack +DESCRIPTION=Macroscopic Electrostatics with Atomic Detail +EAPI=0 +HOMEPAGE=http://www.teokem.lu.se/~ulf/Methods/mead.html +IUSE=python +KEYWORDS=~x86 +LICENSE=GPL-2 +RESTRICT=fetch +SLOT=0 +SRC_URI=ftp://ftp.scripps.edu/pub/bashford/mead-2.2.7.tar.gz +_eclass_exported_funcs=src_unpack:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=5a3dfa1cbb5c4c230241e91b0d9b6fbc diff --git a/metadata/md5-cache/sci-chemistry/mm-align-20120321 b/metadata/md5-cache/sci-chemistry/mm-align-20120321 new file mode 100644 index 000000000000..4a29789c2b3d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mm-align-20120321 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 virtual/fortran +DESCRIPTION=Protein Complex Structural Alignment +EAPI=6 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/MM-align/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/MM-align-20120321.tar.xz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=49c7ebd406de721ad41571fdc9428f3f diff --git a/metadata/md5-cache/sci-chemistry/molden-4.8-r2 b/metadata/md5-cache/sci-chemistry/molden-4.8-r2 new file mode 100644 index 000000000000..d4f1ce83403e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-4.8-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=4 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=amd64 x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden4.8.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a2052fb8908814c1a8209dbb113b03f4 diff --git a/metadata/md5-cache/sci-chemistry/molden-5.0 b/metadata/md5-cache/sci-chemistry/molden-5.0 new file mode 100644 index 000000000000..d38ce82d65a8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-5.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=4 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=~amd64 ~x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.0.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=3f72a917ea1b4679bf81847dd5857b2d diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5 new file mode 100644 index 000000000000..bccbd24da2ba --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-5.5 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=6 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=~amd64 ~x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=774949207509932883597b3ca5c7de7d diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 new file mode 100644 index 000000000000..c4c2106d5a4d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare +DEPEND=doc? ( virtual/latex-base ) +DESCRIPTION=Molecular dynamics simulations platform +EAPI=4 +HOMEPAGE=http://www.ccp5.ac.uk/moldy/moldy.html +IUSE=doc examples +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +SLOT=0 +SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=b14f301c0d5e50d724cd31291ed59e3f diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.7.1 b/metadata/md5-cache/sci-chemistry/molequeue-0.7.1 new file mode 100644 index 000000000000..988e6952059c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.7.1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:4 dev-qt/qtgui:4 zeromq? ( net-libs/cppzmq:0= ) doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.6.3 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Abstract, manage and coordinate execution of tasks +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/OpenChemistry/project/molequeue.html +IUSE=+client doc server test +zeromq python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:4 dev-qt/qtgui:4 zeromq? ( net-libs/cppzmq:0= ) +REQUIRED_USE=python_targets_python2_7 server? ( client ) test? ( server ) +SLOT=0 +SRC_URI=mirror://sourceforge/project/molequeue/molequeue/0.7.1/molequeue-0.7.1.tar.gz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:cmake-utils src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 virtualx 171580f737f5aaf18fcb456548588066 +_md5_=81de6eaad4f027622700128ce703f0f4 diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 new file mode 100644 index 000000000000..5ab2f773b046 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.6.3 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Abstract, manage and coordinate execution of tasks +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/OpenChemistry/project/molequeue.html +IUSE=+client doc server test +zeromq python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) +REQUIRED_USE=python_targets_python2_7 server? ( client ) test? ( server ) +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.8.0.tar.gz -> molequeue-0.8.0.tar.gz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 virtualx 171580f737f5aaf18fcb456548588066 +_md5_=9564284a27c1b589ebef9a4dd9a638aa diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2 new file mode 100644 index 000000000000..53d7a97e2a58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=4 +HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=e8c6cf092e900e6813ca56f42cf0c538 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3 new file mode 100644 index 000000000000..58a2cfea23ef --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=4 +HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=7412ea85b155fe5b0ffbfa299930af76 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 new file mode 100644 index 000000000000..ed75164b3f22 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=5 +HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=3b64c108d256040ccc5b43a566996896 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 new file mode 100644 index 000000000000..c587ac69505b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=5 +HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=c4e43dd9e34d3bb38efb4fa48eed0dbc diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 new file mode 100644 index 000000000000..91c942b291bf --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +DESCRIPTION=Display molecular 3D structures, such as proteins, in both schematic and detailed representations +EAPI=5 +HOMEPAGE=http://www.avatar.se/molscript/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=glut molscript +RDEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=molscript-2.1.2.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=eb0013ea21e1b6460673297657b6c433 diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.2.0-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.2.0-r1 new file mode 100644 index 000000000000..3328bea63c29 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.2.0-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qttest:4 >=dev-qt/qthelp-4.7.0:4[compat] sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=A drawing tool for 2D molecular structures +EAPI=5 +HOMEPAGE=http://molsketch.sourceforge.net/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qttest:4 >=dev-qt/qthelp-4.7.0:4[compat] +SLOT=0 +SRC_URI=mirror://sourceforge/molsketch/Molsketch-0.2.0-Source.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=9fc3423fadc03793037651f3f5c74895 diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 new file mode 100644 index 000000000000..5b528fb72a85 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=A drawing tool for 2D molecular structures +EAPI=5 +HOMEPAGE=http://molsketch.sourceforge.net/ +IUSE=test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 +SLOT=0 +SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Lithium%200.3.0/Molsketch-0.3.0-src.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c qmake-utils ea78a9056543346cdc8cbbd07f16c6fb toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=39c157d9ece2da36ace1b1017ab44f6f diff --git a/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 new file mode 100644 index 000000000000..74e7dbd91643 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=Application for managing large collections of chemical data +EAPI=5 +HOMEPAGE=http://www.openchemistry.org/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/mongochem/archive/df36ebce92024dd4fd1c70eb37eb84e4c51120ff.tar.gz -> mongochem-0.7.0.tar.gz +_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5720d606710bb53046244dd066793da9 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15 b/metadata/md5-cache/sci-chemistry/mopac7-1.15 new file mode 100644 index 000000000000..8c24ac5e14b4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup +DEPEND=dev-libs/libf2c !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=4 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=amd64 ppc x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a2867fc8118337cc1a30d2814ccbf0cb diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 new file mode 100644 index 000000000000..2887a1216c0b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/libf2c !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=67c2c03a32c90685053bf010332b49ca diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 new file mode 100644 index 000000000000..14d2a17ce90e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install postinst test unpack +DEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=0 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc threads tk +KEYWORDS=amd64 ppc ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_compile:- src_test:- src_install:- +_md5_=e04225676a63996d2caf2cde0173a55f diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 new file mode 100644 index 000000000000..687cdf5a0d75 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=2 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads tk +KEYWORDS=~amd64 ~ppc ~ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=d600d59559b1768cc0e92ab56ce0cc33 diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 new file mode 100644 index 000000000000..09dd26dd718f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=4 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads static-libs tk +KEYWORDS=amd64 ppc ppc64 x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_compile:autotools-utils src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=d8ecf88f50a4d182d2b864fe6ab42629 diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 new file mode 100644 index 000000000000..98db7b795f8e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=6 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads static-libs tk +KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a765f25fee693dd1943023f3b114039b diff --git a/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 new file mode 100644 index 000000000000..70945ad7f57c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install +DESCRIPTION=MSMS allows to compute very efficiently triangulations of Solvent Excluded Surfaces +EAPI=4 +HOMEPAGE=http://mgl.scripps.edu/people/sanner/html/msms_home.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=MSMS +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) x86? ( msms_i86Linux2_2.6.1.tar.gz ) +_eclass_exported_funcs=src_install:- +_md5_=3bed25085e21d3be0ead51b25101c70b diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.1 b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 new file mode 100644 index 000000000000..915407f4d8d7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=4 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.unimelb.edu.au/~arun/mustang/mustang_v3.2.1.tgz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=5d72090d79b79e2f40252236d5fd1a00 diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 new file mode 100644 index 000000000000..c5573f725dda --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=5 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=bb9df4c11103cf2d9afb5f1d921b6795 diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10 new file mode 100644 index 000000000000..07d745895d42 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/namd-2.10 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare +DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= app-shells/tcsh +DESCRIPTION=A powerful and highly parallelized molecular dynamics code +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ +KEYWORDS=~amd64 +LICENSE=namd +RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= +RESTRICT=fetch +SLOT=0 +SRC_URI=NAMD_2.10_Source.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=1e1c9277696a47a8356482167a1c6d08 diff --git a/metadata/md5-cache/sci-chemistry/namd-2.9-r1 b/metadata/md5-cache/sci-chemistry/namd-2.9-r1 new file mode 100644 index 000000000000..6ef0eb08478a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/namd-2.9-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare +DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= app-shells/tcsh +DESCRIPTION=A powerful and highly parallelized molecular dynamics code +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ +KEYWORDS=~amd64 +LICENSE=namd +RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= +RESTRICT=fetch +SLOT=0 +SRC_URI=NAMD_2.9_Source.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=0244e38e527e9f8fb4d418543c985848 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 new file mode 100644 index 000000000000..bad0566fcf9e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=test? ( dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] +DESCRIPTION=A module for working with NMR data in Python +EAPI=5 +HOMEPAGE=http://nmrglue.com/ +IUSE=test python_targets_python2_7 python_targets_python3_4 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 ) +SLOT=0 +SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.5/nmrglue-0.5.tar.gz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=74e8d29d349a776c57b8d91c41cf1d30 diff --git a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 new file mode 100644 index 000000000000..512dcac6fd36 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=new user-friendly method built for automatic dX-tensor determination +EAPI=5 +HOMEPAGE=http://www.nmr.chem.uu.nl/~christophe/numbat.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 sci-chemistry/molmol sci-chemistry/pymol sci-visualization/gnuplot +SLOT=0 +SRC_URI=http://comp-bio.anu.edu.au/private/downloads/Numbat/Numbat-0.999.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:autotools-utils src_compile:autotools-utils src_test:autotools-utils src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=3b685285507fad73053fa0418f660969 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 new file mode 100644 index 000000000000..3d7d325f5981 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Interconverts file formats used in molecular modeling +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=doc openmp test wxwidgets +KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_configure:- src_compile:cmake-utils src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=4fb8b622b0dbe98fc1ab63a648a82101 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 new file mode 100644 index 000000000000..49a907dae575 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.6.3 dev-lang/perl:=[-build(-)] +DESCRIPTION=Perl bindings for OpenBabel +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 dev-lang/perl:=[-build(-)] +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclass_exported_funcs=src_unpack:perl-module src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c perl-functions c794e60e3f4353e40464afd90270fb84 perl-module e64d78a54693f92bbe90a62f2efeb6cb toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee unpacker f40f7b4bd5aa88c2a4ba7b0d1e0ded70 versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=c7b141e9f88e4a429f2d2e1e936f827b diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 new file mode 100644 index 000000000000..937c73b13597 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Python bindings for OpenBabel (including Pybel) +EAPI=5 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=python_targets_python2_7 python_targets_python3_4 +KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 ) +SLOT=0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=b257551fe4d872d9e45fbe49617a3a6f diff --git a/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 new file mode 100644 index 000000000000..25ba0ac64e7e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install setup unpack +DEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +DESCRIPTION=Thermal ellipsoid plot program for crystal structure illustrations +EAPI=4 +HOMEPAGE=http://www.ornl.gov/sci/ortep/ +KEYWORDS=~amd64 ~x86 +LICENSE=public-domain +RDEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.ornl.gov/pub/ortep/src/ortep.f +_eclass_exported_funcs=pkg_setup:fortran-2 src_unpack:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=dba669fa4ed64bafdc79c126c520526d diff --git a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 new file mode 100644 index 000000000000..89b1307fdfc5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://nodeload.github.com/fu/p3d/tarball/0.4.3 -> p3d-0.4.3.tar.gz +_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:- +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=9e3832010a5347eb6c9e4bba5441e9a5 diff --git a/metadata/md5-cache/sci-chemistry/p3d-9999 b/metadata/md5-cache/sci-chemistry/p3d-9999 new file mode 100644 index 000000000000..c34280543ffb --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +_eclass_exported_funcs=src_unpack:git-r3 src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:- +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=588877767f6990c41eead2c39b098d8b diff --git a/metadata/md5-cache/sci-chemistry/parassign-20130522 b/metadata/md5-cache/sci-chemistry/parassign-20130522 new file mode 100644 index 000000000000..7465230e8b1a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/parassign-20130522 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/cython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Assign protein nuclei solely on the basis of pseudocontact shifts (PCS) +EAPI=5 +HOMEPAGE=http://protchem.lic.leidenuniv.nl/software/parassign/registration +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Apache-2.0 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) || ( python_targets_python2_7 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=PARAssign_Linux_x64_86.tgz +_eclass_exported_funcs=src_prepare:- src_configure:distutils-r1 src_compile:- src_test:distutils-r1 src_install:- +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=799a8d9a4cdb92870a2de2d603db67e9 diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 new file mode 100644 index 000000000000..df3a42ccfd83 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_pypy python_targets_python2_7 python_single_target_pypy python_single_target_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +REQUIRED_USE=^^ ( python_single_target_pypy python_single_target_python2_7 ) python_single_target_pypy? ( python_targets_pypy ) python_single_target_python2_7? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=1351edf19d2820e89574c5ff43489439 diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 new file mode 100644 index 000000000000..464ec9ae50d5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran +DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f9f71182abfaac381b3fc033e7a068f5 diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 new file mode 100644 index 000000000000..4306bc02bfb2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) dev-lang/swig:0 dev-util/scons virtual/fortran +DESCRIPTION=An automated pipeline for performing Poisson-Boltzmann electrostatics calculations +EAPI=5 +HOMEPAGE=http://www.poissonboltzmann.org/ +IUSE=doc examples opal +pdb2pka python_targets_python2_7 +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) virtual/fortran +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 scons-utils fcace052aef60e6b0eb3023c26aa585a toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a8cfc7a980b8933a75f09a8a76d19bdc diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 new file mode 100644 index 000000000000..a86d5735c2cc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 +DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc +EAPI=6 +HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=4ebe1185f44e21cb0c7d7cbb291a8b30 diff --git a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 new file mode 100644 index 000000000000..c9f11dc28dc5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install +DESCRIPTION=Convert atom names for common amino acids and nucleic acid bases from PDB format to CNS or back +EAPI=4 +HOMEPAGE=http://www.mybiosoftware.com/3d-molecular-model/314/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-lang/perl +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pdbcns.2.0.010504.perl.tgz +_eclass_exported_funcs=src_install:- +_md5_=f167b7636f3008d03c5b5a4fa27d414e diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 new file mode 100644 index 000000000000..6629f2e175cb --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 virtual/fortran +DESCRIPTION=Calculate Tirion's model from pdb structures +EAPI=6 +HOMEPAGE=http://ecole.modelisation.free.fr/modes.html +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CeCILL-2 +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5de2f612591221cdc5d57106eab44a2a diff --git a/metadata/md5-cache/sci-chemistry/platon-20151001 b/metadata/md5-cache/sci-chemistry/platon-20151001 new file mode 100644 index 000000000000..777cc2561374 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/platon-20151001 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install setup unpack +DEPEND=x11-libs/libX11 virtual/fortran +DESCRIPTION=Versatile, SHELX-97 compatible, multipurpose crystallographic tool +EAPI=5 +HOMEPAGE=http://www.cryst.chem.uu.nl/platon/ +IUSE=examples +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +RDEPEND=x11-libs/libX11 virtual/fortran +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cryst.chem.uu.nl/xraysoft/unix/platon.tar.gz -> platon-20151001.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_unpack:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=111841d4573a0dbdc77efaa5e6d9c141 diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 new file mode 100644 index 000000000000..7d2bd1219a8c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install postinst prepare +DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11 +DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more +EAPI=4 +HOMEPAGE=https://sites.google.com/site/timfenn/povscript +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=glut molscript +RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11 +SLOT=0 +SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.19.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=d87e69cd4cc5cf8349e4703b0a4e0c95 diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 new file mode 100644 index 000000000000..160b7c3ee42d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install postinst prepare +DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11 +DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more +EAPI=5 +HOMEPAGE=https://sites.google.com/site/timfenn/povscript +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=glut molscript +RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11 +SLOT=0 +SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.20.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=0a335f1e70d94904f0d4666c06852abf diff --git a/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 new file mode 100644 index 000000000000..2f7536e1bfb4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 ) +DESCRIPTION=Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate files +EAPI=2 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/prekin.php +IUSE=X +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +RDEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 ) +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/prekin/prekin.6.51.081122.src.tgz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=74da56bfd665dc0e2e02f09683a31550 diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 new file mode 100644 index 000000000000..574f90bfd6a3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install prepare +DEPEND=app-arch/unzip +DESCRIPTION=Evaluates atomic packing within or between molecules +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/probe.php +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=0a6ad068c88c168f03f956d66a0dae2b diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r1 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r1 new file mode 100644 index 000000000000..f4ee68e6d4c9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Checks the stereochemical quality of a protein structure +EAPI=4 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=94aa35e4c713795afdc986d1e9c98780 diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r2 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r2 new file mode 100644 index 000000000000..b8dd52f79b18 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Checks the stereochemical quality of a protein structure +EAPI=5 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=app-shells/tcsh virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=c6bb59906342eca25c081ca43c59dade diff --git a/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 new file mode 100644 index 000000000000..ad2d8c8548b1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install setup +DESCRIPTION=Decomposition-based analysis of NMR projections +EAPI=5 +HOMEPAGE=http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +SLOT=0 +SRC_URI=mirror://gentoo/prodecomp-3.0.tar.bz2 +_eclass_exported_funcs=pkg_setup:python-single-r1 src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=8c11e7c0da0dc2e2ecbff4aef69bde8a diff --git a/metadata/md5-cache/sci-chemistry/prody-1.6 b/metadata/md5-cache/sci-chemistry/prody-1.6 new file mode 100644 index 000000000000..c47713c907c3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/prody-1.6 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Protein Dynamics Analysis +EAPI=5 +HOMEPAGE=http://prody.csb.pitt.edu/ https://github.com/prody/ProDy +IUSE=test python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=MIT +RDEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/prody/ProDy/archive/v1.6.tar.gz -> prody-1.6.tar.gz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=ec3075eb7c34897bec8cd637a3b26c45 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 new file mode 100644 index 000000000000..a4b3b0541347 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes +EAPI=5 +HOMEPAGE=http://propka.ki.ku.dk/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=all-rights-reserved +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror bindist +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/propka-3.1_p140511.tar.xz +_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=ebb8e38b8268a314f0aedc878dc74b59 diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 new file mode 100644 index 000000000000..edfe28e12354 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/pkgconfig dev-util/byacc test? ( dev-lang/perl ) virtual/fortran +DESCRIPTION=Suite for ab initio quantum chemistry computing various molecular properties +EAPI=4 +HOMEPAGE=http://www.psicode.org/ +IUSE=static-libs test +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran +SLOT=0 +SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:- src_test:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 autotools-utils 042d779bc872564b26c4e5cf018db8ed eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=5edc91712c391640ba4e48fcb6944fee diff --git a/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 new file mode 100644 index 000000000000..221c6069f14b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=A Python-extensible molecular graphics system +EAPI=6 +HOMEPAGE=http://www.pymol.org/ +IUSE=web python_targets_python2_7 +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=PSF-2.2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.4.0.tar.bz2 +_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c fdo-mime 21ef5adf81836863efa968f2a25cff64 flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=d4c73ac82931eedcc71fd1708929a372 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 new file mode 100644 index 000000000000..9fcd4fefce1e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=app-arch/unzip +DESCRIPTION=Gives Pymol additional functionalities and presets to the PyMOL GUI +EAPI=5 +HOMEPAGE=http://bni-tools.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CNRI +RDEPEND=sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +SLOT=0 +SRC_URI=mirror://sourceforge/bni-tools/bni-tools/bni-tools-0.27/bni-tools-027.zip +_eclass_exported_funcs=src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=bf98eae58ef4c64fa38270c3e3daa058 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 new file mode 100644 index 000000000000..e5eba0172555 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install +DEPEND=app-arch/unzip +DESCRIPTION=Calculation of pathways from buried cavities to outside solvent in protein structures +EAPI=5 +HOMEPAGE=http://loschmidt.chemi.muni.cz/caver/ +IUSE=python_targets_python2_7 elibc_FreeBSD +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CAVER +RDEPEND=>=virtual/jre-1.6 sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +RESTRICT=fetch +SLOT=0 +SRC_URI=Caver2_1_2_pymol_plugin.zip +_eclass_exported_funcs=src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=fae850a4a0b5c2538b9a385f2c508c8b diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 new file mode 100644 index 000000000000..c1fa966aa3b1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=DSSP Plugin for PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/dssp_pymol/dssp_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=sci-chemistry/dssp sci-biology/stride sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-plugins-dssp-110430.py.xz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=798903016735fda6a388e9e25d16ce29 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-1.2.0 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-1.2.0 new file mode 100644 index 000000000000..fd78152ce725 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-1.2.0 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install prepare +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Molecular dynamics in Pymol +EAPI=5 +HOMEPAGE=https://github.com/tomaszmakarewicz/Dynamics +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/tomaszmakarewicz/Dynamics/archive/v1.2.0.tar.gz -> pymol-plugins-dynamics-1.2.0.tar.gz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=d4191ed46114c1b130c953ef7ae0303e diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.4 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.4 new file mode 100644 index 000000000000..029574319b57 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.4 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Molecular dynamics in Pymol +EAPI=5 +HOMEPAGE=https://github.com/tomaszmakarewicz/Dynamics +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/tomaszmakarewicz/Dynamics/archive/v2.0.4.tar.gz -> pymol-plugins-dynamics-2.0.4.tar.gz +_eclass_exported_funcs=src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=94d36ebc6e36681a3ddb751c55fb5738 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 new file mode 100644 index 000000000000..2ef0d3c7fbce --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install prepare +DEPEND=app-arch/unzip +DESCRIPTION=PyMOL plugin for convinient movie creation +EAPI=5 +HOMEPAGE=http://www.weizmann.ac.il/ISPC/eMovie.html +IUSE=python_targets_python2_7 +KEYWORDS=~x86 ~amd64 ~x86-linux ~amd64-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >sci-chemistry/pymol-0.99[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.weizmann.ac.il/ISPC/eMovie_package.zip +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=990ac19bca204dd80eea16ac13567dfa diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 new file mode 100644 index 000000000000..6f5176598a2c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare unpack +DEPEND=sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=GUI for MSMS and displaying its results in PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +SLOT=0 +SRC_URI=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> pymol-plugins-msms-100415.py +_eclass_exported_funcs=src_unpack:- src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=d921ff5d897be81fd37f7778ddf8a103 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 new file mode 100644 index 000000000000..6190de29d288 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Fast and accurate regognition of active sites +EAPI=5 +HOMEPAGE=http://www.rit.edu/cos/ezviz/ProMOL_dl.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=all-rights-reserved +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror bindist +SLOT=0 +SRC_URI=http://www.rit.edu/cos/ezviz/ProMOL.zip -> pymol-plugins-promol-3.0.2.zip +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=595dd65c0598637d32294e431ac786f1 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 new file mode 100644 index 000000000000..3841b2b390b0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Pymol ScrIpt COllection +EAPI=5 +HOMEPAGE=https://github.com/speleo3/pymol-psico/ +IUSE=minimal python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/mmtk[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !minimal? ( media-libs/qhull media-video/mplayer sci-biology/stride sci-chemistry/dssp sci-chemistry/mm-align sci-chemistry/pdbmat sci-chemistry/theseus sci-chemistry/tm-align sci-mathematics/diagrtb ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/speleo3/pymol-psico/tarball/3.1 -> pymol-plugins-psico-3.1.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1 +_eclasses_=distutils-r1 039ba10839816478cfb070fdeb053906 eutils 3c847a0129fed780bd709b98e426f89c multibuild 72647e255187a1fadc81097b3657e5c3 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-r1 0c067f080a047742ffac024b16895b45 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee vcs-snapshot 03289f51c769cf409d200d2d628cdd6e xdg-utils 178a84136f416b8ea1a857717eacd21c +_md5_=43ad844b1f16b243dd59f0b441ca5da8 diff --git a/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 new file mode 100644 index 000000000000..76832bd2fbb7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 app-text/rman x11-misc/imake x11-proto/inputproto x11-proto/xextproto virtual/fortran +DESCRIPTION=Molecular Graphics Visualisation Tool +EAPI=5 +HOMEPAGE=http://www.openrasmol.org/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=|| ( GPL-2 RASLIC ) +RDEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 virtual/fortran +SLOT=0 +SRC_URI=mirror://sourceforge/openrasmol/RasMol/RasMol_2.7.5/rasmol-2.7.5.2-13May11.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=1018c7ecff11720e0f55739ec4da239e diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 new file mode 100644 index 000000000000..a98c6951dfc3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=4 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-2.tar.gz -> Raster3D_3.0-2.tar +_eclass_exported_funcs=pkg_postinst:- pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=a59b1e92082f2d173671dfd85c99cf41 diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 new file mode 100644 index 000000000000..0cc95a618059 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=5 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-3.tar.gz -> Raster3D_3.0-3.tar +_eclass_exported_funcs=pkg_postinst:- pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=342cdfa3f027929bf6f5b74156fe7c8e diff --git a/metadata/md5-cache/sci-chemistry/reduce-3.13.080428-r1 b/metadata/md5-cache/sci-chemistry/reduce-3.13.080428-r1 new file mode 100644 index 000000000000..477aadcb5a81 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/reduce-3.13.080428-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install postinst prepare +DEPEND=app-arch/unzip +DESCRIPTION=Adds hydrogens to a Protein Data Bank (PDB) molecule structure file +EAPI=3 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/reduce.php +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/reduce31/reduce.3.13.080428.src.tgz +_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=c8321e98fe9c36010593a18f73e19009 diff --git a/metadata/md5-cache/sci-chemistry/reduce-3.14.080821 b/metadata/md5-cache/sci-chemistry/reduce-3.14.080821 new file mode 100644 index 000000000000..8ab623069c05 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/reduce-3.14.080821 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install prepare +DEPEND=app-arch/unzip +DESCRIPTION=Adds hydrogens to a Protein Data Bank (PDB) molecule structure file +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/reduce.php +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/reduce31/reduce.3.14.080821.src.tgz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f04376515c335ad291b1ccb549ac8900 diff --git a/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 new file mode 100644 index 000000000000..abedb16eacf4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install +DEPEND=app-arch/unzip +DESCRIPTION=Adds hydrogens to a Protein Data Bank (PDB) molecule structure file +EAPI=6 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/reduce.php +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/reduce31/reduce.3.16.111118.src.zip +_eclass_exported_funcs=src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=67cd71a0242b6d5b3d50143ed3fdfbe1 diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 new file mode 100644 index 000000000000..0c0e75ad616d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Molecular dynamics by NMR data analysis +EAPI=5 +HOMEPAGE=http://www.nmr-relax.com/ +IUSE=test python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2 +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 scons-utils fcace052aef60e6b0eb3023c26aa585a toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee virtualx 171580f737f5aaf18fcb456548588066 wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=a93ba0d630c6f9c5966b92003e43adad diff --git a/metadata/md5-cache/sci-chemistry/shelx-20141228 b/metadata/md5-cache/sci-chemistry/shelx-20141228 new file mode 100644 index 000000000000..c2e978912e78 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/shelx-20141228 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install +DESCRIPTION=Programs for crystal structure determination from single-crystal diffraction data +EAPI=5 +HOMEPAGE=http://shelx.uni-ac.gwdg.de/SHELX/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( anode_amd64.bz2 ciftab_amd64.bz2 shelxc_amd64.bz2 shelxd_amd64.bz2 shelxe_amd64.bz2 shelxl_amd64.bz2 shelxs_amd64.bz2 shelxt_amd64.bz2 shredcif_amd64.bz2 ) x86? ( anode_x86.bz2 ciftab_x86.bz2 shelxc_x86.bz2 shelxd_x86.bz2 shelxe_x86.bz2 shelxl_x86.bz2 shelxs_x86.bz2 shelxt_x86.bz2 shredcif_x86.bz2 ) +_eclass_exported_funcs=src_install:- +_md5_=b66443b048e30f88389ac6ad4c1ca172 diff --git a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 new file mode 100644 index 000000000000..0462c7f7ee32 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 @@ -0,0 +1,16 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +DESCRIPTION=Graphical NMR assignment and integration program for large polymers +EAPI=6 +HOMEPAGE=http://www.cgl.ucsf.edu/home/sparky/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=sparky +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cgl.ucsf.edu/home/sparky/distrib-3.115/sparky-source-3.115.tar.gz +_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=602d930dbfabc45f0336eb464eeadbdb diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 new file mode 100644 index 000000000000..8765f2933155 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install prepare +DESCRIPTION=The ROC RNA Ontology Consortium consensus RNA backbone nomenclature and conformer-list development +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/suitename.php +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=f3751bdbdbce7b48ea8c66ac68009342 diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0 new file mode 100644 index 000000000000..9abf4ec9368f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/surf-1.0 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install prepare +DEPEND=!www-client/surf sys-apps/ed x11-misc/makedepend +DESCRIPTION=Solvent accesible Surface calculator +EAPI=4 +HOMEPAGE=http://www.ks.uiuc.edu/ +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~x86-macos +LICENSE=SURF +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=a20abb1c7ee3a566f2304159128cb881 diff --git a/metadata/md5-cache/sci-chemistry/theseus-2.0.6 b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 new file mode 100644 index 000000000000..dff7ec2a24b4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_2.0.6.tar.gz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=22ffce5b9a0c8872cf80116e05aed37a diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.0.0 b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 new file mode 100644 index 000000000000..775a896c6aae --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.0.0.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 new file mode 100644 index 000000000000..bbbbf007a332 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz +_eclass_exported_funcs=src_prepare:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2 b/metadata/md5-cache/sci-chemistry/threeV-1.2 new file mode 100644 index 000000000000..f76594b0aaf7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/threeV-1.2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=3V: Voss Volume Voxelator +EAPI=3 +HOMEPAGE=http://geometry.molmovdb.org/3v/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +PDEPEND=sci-chemistry/msms-bin +SLOT=0 +SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=c2574a5861be992dacebac7cdb3d60ab diff --git a/metadata/md5-cache/sci-chemistry/tinker-7.1.2 b/metadata/md5-cache/sci-chemistry/tinker-7.1.2 new file mode 100644 index 000000000000..b2805f25b93f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tinker-7.1.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install preinst prepare setup test +DEPEND=>=virtual/jdk-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM +EAPI=5 +HOMEPAGE=http://dasher.wustl.edu/tinker/ +IUSE=examples elibc_FreeBSD java +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Tinker +RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !dev-util/diffuse >=virtual/jre-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-7.1.2.tar.gz +_eclass_exported_funcs=pkg_preinst:java-pkg-opt-2 pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 java-pkg-opt-2 be255db325e3af8fbf3506cf63998341 java-utils-2 1971a6927fcd7ec839f7e12b28a24bdd multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=371eb5903a6d80ac2ba77fba8c27453c diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20140601 b/metadata/md5-cache/sci-chemistry/tm-align-20140601 new file mode 100644 index 000000000000..67e4fbc739f5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tm-align-20140601 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 virtual/fortran +DESCRIPTION=Quick & Accurate Structural Alignment +EAPI=5 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ +IUSE=static custom-cflags +KEYWORDS=amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20140601.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=5c270361585bf3dd5d51c717eb40b587 diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914 new file mode 100644 index 000000000000..0e736f22d7f5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.6.3 virtual/fortran +DESCRIPTION=Quick & Accurate Structural Alignment +EAPI=5 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ +IUSE=static custom-cflags +KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz +_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b fortran-2 9773a6296d565bc8cf241891112a9705 multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=34e06b97e2807695b17272363a7f9fd3 diff --git a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 new file mode 100644 index 000000000000..d0e139571747 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] x11-proto/inputproto x11-proto/xproto +DESCRIPTION=Open-source graphical front end for computational chemistry programs +EAPI=6 +HOMEPAGE=http://viewmol.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=mirror://sourceforge/viewmol/viewmol-2.4.1.src.tgz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:- +_eclasses_=multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=b7a67c4a505a5315601ee21d52b126a5 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.2 b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 new file mode 100644 index 000000000000..74c20ae847ae --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare setup +DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig +DESCRIPTION=Visual Molecular Dynamics +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +RESTRICT=fetch +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.2-gentoo-patches.tar.xz vmd-1.9.2.src.tar.gz +_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_install:- +_eclasses_=cuda 626969678b9c5735753d8a380c6f295b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 prefix df8265631f8bf5f5df387e9b987121f9 python-single-r1 c3e54dd0dc1e70c6252f2551a55bf053 python-utils-r1 4f8aa7196c2c9a5630e66c2113ae46c3 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=279d9eaf8c313239a9b674fde0108623 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 new file mode 100644 index 000000000000..e21ec9a951fe --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4 ) +RDEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.4.tar.gz -> votca-csg-1.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4/votca-csg-manual-1.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.tar.gz -> votca-csg-tutorials-1.4.tar.gz ) +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=8d981c80eb047020047e0769106f1793 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999 new file mode 100644 index 000000000000..c88f9d3fe621 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +LICENSE=Apache-2.0 +PDEPEND=extras? ( =sci-chemistry/votca-csgapps-9999 ) +RDEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=47544fb43fcb62e0e02363cb607d42e1 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 new file mode 100644 index 000000000000..9e019dd0d21f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=~sci-chemistry/votca-csg-1.4 dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.4.tar.gz -> votca-csgapps-1.4.tar.gz +_eclass_exported_funcs=src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=ba6d40e6deda09029e1f260fb3eb2221 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 new file mode 100644 index 000000000000..409a76c5474b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=~sci-chemistry/votca-csg-9999 dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-9999 +SLOT=0 +_eclass_exported_funcs=src_unpack:git-r3 src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils +_eclasses_=cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=4548b2800fffbbebc2a6dca2cc2d2c37 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 new file mode 100644 index 000000000000..ad486e413f3f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.6.3 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.4.tar.gz -> votca-xtp-1.4.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4/votca-xtp-manual-1.4.pdf ) +_eclass_exported_funcs=pkg_postinst:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=9d35da8070ed16649ee53db9fffa014d diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 new file mode 100644 index 000000000000..b9647889d4db --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND==sci-libs/votca-tools-9999[sqlite] =sci-chemistry/votca-csg-9999 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.6.3 >=dev-vcs/git-1.8.2.1 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +LICENSE=Apache-2.0 +RDEPEND==sci-libs/votca-tools-9999[sqlite] =sci-chemistry/votca-csg-9999 +SLOT=0 +_eclass_exported_funcs=pkg_postinst:- src_unpack:git-r3 src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:- +_eclasses_=bash-completion-r1 8e447753aaf658afa609fbf961d80ab7 cmake-utils dd1d263f83f0791bd433b134f40db39b eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b git-r3 08c5be5f8bdc203ed54d5ff5fef3c34d multilib 0236be304ee52e7f179ed2f337075515 multiprocessing 284a473719153462f3e974d86c8cb81c toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee versionator c80ccf29e90adea7c5cae94b42eb76d0 +_md5_=7ab51c88bbf3bf6d828885707c90451f diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 new file mode 100644 index 000000000000..5dedaf96d82e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=configure install prepare +DEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming ) virtual/pkgconfig !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Chemical 3D graphics program with GAMESS input builder +EAPI=5 +HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/ +IUSE=flash +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming ) +SLOT=0 +SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz +_eclass_exported_funcs=src_prepare:- src_configure:- src_install:- +_eclasses_=autotools 7027963e8e8cc12c91117bdb9225dc26 eutils 3c847a0129fed780bd709b98e426f89c flag-o-matic 61cad4fb5d800b29d484b27cb033f59b libtool 48b1b9f6194d2842456514d1184ca72e multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee wxwidgets 04e063b0eff26daaea83d859dd9d6e05 +_md5_=4c8a5d6f6b512619efc226a49f13b7c6 diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20170430 b/metadata/md5-cache/sci-chemistry/xds-bin-20170430 new file mode 100644 index 000000000000..2ff0585a8b38 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xds-bin-20170430 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install postinst unpack +DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data +EAPI=6 +HOMEPAGE=http://xds.mpimf-heidelberg.mpg.de/ +IUSE=smp X +KEYWORDS=-* ~amd64 +LICENSE=free-noncomm +RDEPEND=X? ( sci-visualization/xds-viewer ) +SLOT=0 +SRC_URI=ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20170430.tar.gz ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS_html_doc.tar.gz -> XDS_html_doc-20170430.tar.gz +_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_install:- +_md5_=37b0bff60614dfacf4b53e9cf82d5ab7 diff --git a/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 new file mode 100644 index 000000000000..f483ad495487 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install unpack +DESCRIPTION=GUI for XDS that is supposed to help both novice and experienced users +EAPI=5 +HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XdsGUI +KEYWORDS=-* ~amd64 ~amd64-linux +LICENSE=GPL-2 +RDEPEND=dev-qt/qtcore:4 dev-qt/qtgui:4 dev-util/xxdiff sci-chemistry/xds-bin sci-chemistry/xdsstat-bin sci-visualization/xds-viewer +SLOT=0 +SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.64 -> xdsgui-0_p130530.64 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.32 -> xdsgui-0_p130530.32 ) +_eclass_exported_funcs=src_unpack:- src_install:- +_md5_=93caeeb1723f27912b2303654e6c11ea diff --git a/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 new file mode 100644 index 000000000000..657775dfa254 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DESCRIPTION=Prints various statistics (that are not available from XDS itself) +EAPI=5 +HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XDSSTAT +KEYWORDS=~amd64 ~amd64-linux +LICENSE=all-rights-reserved +RDEPEND=sci-chemistry/xds-bin +RESTRICT=mirror +SLOT=0 +SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux64.bz2 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux32.bz2 ) +_eclass_exported_funcs=src_install:- +_md5_=507e7c579a71eb03960a08847ac16f6e diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20101129 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20101129 new file mode 100644 index 000000000000..438fabfd821d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20101129 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Cross conversion environment of NMR spectra +EAPI=3 +HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=olivia +SLOT=0 +SRC_URI=mirror://gentoo/xyza2pipe-20101129.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=58caffc318d865e381ac92878eb3ecff diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 new file mode 100644 index 000000000000..32cf347cc6db --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Cross conversion environment of NMR spectra +EAPI=5 +HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=olivia +SLOT=0 +SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz +_eclass_exported_funcs=src_prepare:- src_install:- +_eclasses_=eutils 3c847a0129fed780bd709b98e426f89c multilib 0236be304ee52e7f179ed2f337075515 toolchain-funcs 6eb35f81556258a4bc9182ad3dfd58ee +_md5_=4a9202aad37eef0caadbe48609179773 |