DEFINED_PHASES=compile configure install postinst prepare pretend test unpack
DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) gsl? ( sci-libs/gsl ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) openmm? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 sci-libs/openmm[cuda,opencl] ) virtual/pkgconfig dev-util/ninja >=dev-util/cmake-2.8.9 userland_GNU? ( >=sys-apps/findutils-4.4.0 )
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=5
HOMEPAGE=http://www.gromacs.org/
IUSE=X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmm openmp +single-precision test +threads zsh-completion sse2 sse4_1 avx128fma avx256
KEYWORDS=~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~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-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) gsl? ( sci-libs/gsl ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) openmm? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 sci-libs/openmm[cuda,opencl] )
REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) openmm? ( single-precision ) mkl? ( !blas !fftw !lapack )
SLOT=0/4.6.1
SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.1.tar.gz doc? ( ftp://ftp.gromacs.org/pub/manual/manual-4.6.1.pdf -> gromacs-manual-4.6.1.pdf ) test? ( http://gromacs.googlecode.com/files/regressiontests-4.6.1.tar.gz )
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