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BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.15_p3:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.15_p3:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.8_p3:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_p2:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) 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 python_single_target_python3_8? ( >=dev-lang/python-3.8.15_p3:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.15_p3:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.8_p3:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_p2:3.11 )
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=http://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack 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_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~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=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.15_p3:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.15_p3:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.8_p3:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_p2:3.11 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.15_p3:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.15_p3:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.8_p3:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.0_p2:3.11 )
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.3
SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.3.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022.3.tar.gz )
_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 44afbf15c35884f7c840470f1cf05d0d cuda bbef1902e3953ff9f3a9947ebf4e56f9 distutils-r1 da32ffc285e9f13313f2387570e35b87 flag-o-matic 29a755b1291d64133634d80b0328f153 multibuild d26d81f242cb193d899a72bca423d0bd multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 8ed38f92fe095be374d6c4c8d4c0dda7 python-single-r1 a5747fe6dc0651d95cb78eddd5e160a8 python-utils-r1 25c880c1db58e21b80b684bacc964958 readme.gentoo-r1 b776ad4b42f564c406a95c41ccb42c55 toolchain-funcs 441f754fd75cd4fd1fa06fbc17da6144 xdg-utils ac0e315a3688929e34ac75b139e7349a
_md5_=6017ac56695990e60fa079e1286c7ba4
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