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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_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_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_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_6? ( dev-python/setuptools[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/setuptools[python_targets_python3_7(-)] )
DEFINED_PHASES=compile configure install postinst prepare pretend setup 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_6 python_targets_python3_7 python_single_target_python3_6 python_single_target_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_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] )
REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 ) python_single_target_python3_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 ) python_single_target_python3_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 )
RESTRICT=!test? ( test )
SLOT=0/2020
SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2020.tar.gz )
_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils be72eac95bd029ad1d81d5d656c3c83b cuda bb861e5221b7272ac90c2f12791c1e66 distutils-r1 24ad93542cf9d80a03d58784093b1d44 eutils fcb2aa98e1948b835b5ae66ca52868c5 flag-o-matic dc34234e8c43343da45853da22dcf14b multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 36ac48e647d2627de28c87aaffb94753 python-utils-r1 611c493a4cfef5254350fabc04b606f5 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=08fcb4307b3e8090369aeb0809b6ab40
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