DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DEPEND=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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),python_single_target_python2_7(+)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),python_single_target_python2_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
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=6
HOMEPAGE=http://www.gromacs.org/
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 python_targets_python2_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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),python_single_target_python2_7(+)]
REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) python_targets_python2_7
SLOT=0/2019.3
SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.3.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019.3.tar.gz )
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_md5_=df36fcc4bf5a2aa4aac5006727f21e16