2022-04-28 08:48:14 UTC

3 files changed, 22 insertions, 6 deletions

diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
index 760e28fdacad..afac8454aded 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
@@ -3,7 +3,7 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=7
 HOMEPAGE=http://www.gromacs.org/
-INHERIT=bash-completion-r1 cmake cuda python-utils-r1 readme.gentoo-r1 toolchain-funcs xdg-utils
+INHERIT=bash-completion-r1 cmake cuda readme.gentoo-r1 toolchain-funcs xdg-utils
 IUSE=X blas cuda +doc double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl 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
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
 RESTRICT=!test? ( test )
 SLOT=0/2019.6
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz )
-_eclasses_=toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	multilib	4a33c9008e5ee30cb8840a3fdc24df2b	bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4a1902f969e5718126434fc35f3a0d9c	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	fef481272d4a8e136a7d8a0fb1329384	xdg-utils	fffb53a53cf17c9c0c998a3c0a590c7e	cmake	3c38df051095289667b6f09ebd0cc149	cuda	15edbf8fd9df209322f42c06ecf59a96	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	python-utils-r1	777767a09e8cd6db1d4cebe8400bc974	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55
-_md5_=e1ebfceb2a545936f2ef97617e5afc7b
+_eclasses_=toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	multilib	4a33c9008e5ee30cb8840a3fdc24df2b	bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4a1902f969e5718126434fc35f3a0d9c	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	fef481272d4a8e136a7d8a0fb1329384	xdg-utils	fffb53a53cf17c9c0c998a3c0a590c7e	cmake	3c38df051095289667b6f09ebd0cc149	cuda	15edbf8fd9df209322f42c06ecf59a96	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55
+_md5_=7fae2949ebd729e7ed9edb68310f774d
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
index b655d23a473d..03f2b7d5ab74 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
@@ -3,7 +3,7 @@ DEFINED_PHASES=compile configure install postinst prepare pretend test
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=7
 HOMEPAGE=http://www.gromacs.org/
-INHERIT=bash-completion-r1 cmake cuda python-utils-r1 readme.gentoo-r1 toolchain-funcs xdg-utils
+INHERIT=bash-completion-r1 cmake cuda readme.gentoo-r1 toolchain-funcs xdg-utils
 IUSE=X blas cuda +doc double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl 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
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
 RESTRICT=!test? ( test )
 SLOT=0/2019.6
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz )
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-_md5_=8b8b8c8318379803f3f27522a3394e7c
+_eclasses_=toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	multilib	4a33c9008e5ee30cb8840a3fdc24df2b	bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4a1902f969e5718126434fc35f3a0d9c	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	fef481272d4a8e136a7d8a0fb1329384	xdg-utils	fffb53a53cf17c9c0c998a3c0a590c7e	cmake	3c38df051095289667b6f09ebd0cc149	cuda	15edbf8fd9df209322f42c06ecf59a96	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55
+_md5_=c379b8f678e9d5b7fa05c670a32e9cc9
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.1 b/metadata/md5-cache/sci-chemistry/gromacs-2022.1
new file mode 100644
index 000000000000..261c7f2d472c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.1
@@ -0,0 +1,16 @@
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=8
+HOMEPAGE=http://www.gromacs.org/
+INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +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 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
+LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
+RESTRICT=!test? ( test )
+SLOT=0/2022.1
+SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022.1.tar.gz )
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+_md5_=b1a6a2c64a9f74fce4b3caf895b7a069