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BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit 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_9 python_single_target_python3_10 python_single_target_python3_11
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 )
RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2021.6
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz )
_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=ce5183cca4639dae7a256980f02c858c
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