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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 ) 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_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
DEFINED_PHASES=compile configure install postinst prepare pretend test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=7
HOMEPAGE=http://www.gromacs.org/
IUSE=X blas cuda +doc -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 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7
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-6.5.14 ) 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_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) || ( python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) || ( python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 )
RESTRICT=!test? ( test )
SLOT=0/2020_beta1
SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020-beta1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2020-beta1.tar.gz )
_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 distutils-r1 80370fcf1f625f3ca84836cbe8bb04e1 eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=4bd5512ca775c9588c85781f241bfea7
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