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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] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) !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(-)] ) python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
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 +custom-cflags +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_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8
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] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) !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] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] )
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_8 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 )
RESTRICT=!test? ( test )
SLOT=0/2020.2
SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020.2.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2020.2.tar.gz )
_eclasses_=bash-completion-r1 e5f9c3faab3ab3d1e7e007daa8c736ef cmake-utils 7555f0a45c22f33391d9c0c80f57cf23 cuda bb861e5221b7272ac90c2f12791c1e66 distutils-r1 0dda1d9008ac0b2530588115a772d99d eutils fcb2aa98e1948b835b5ae66ca52868c5 flag-o-matic f1194291b9a1baca337c1c89b5f7f365 multilib 2477ebe553d3e4d2c606191fe6c33602 multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 674c48c926cbb44e91b656e0399d8f54 python-utils-r1 cae3d65c47270c9a8c4880076996c09c readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 605c126bed8d87e4378d5ff1645330cb xdg-utils ff2ff954e6b17929574eee4efc5152ba
_md5_=cbc133ff1eae318625cddcdebab18584
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