Index: head/science/gromacs/Makefile =================================================================== --- head/science/gromacs/Makefile (revision 477970) +++ head/science/gromacs/Makefile (revision 477971) @@ -1,93 +1,92 @@ # Created by: Stephen Montgomery-Smith # $FreeBSD$ PORTNAME= gromacs -DISTVERSION= 2018.2 -PORTREVISION= 3 +DISTVERSION= 2018.3 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ MAINTAINER= yuri@FreeBSD.org COMMENT= Compute molecular dynamics LICENSE= LGPL21 LICENSE_FILE= ${WRKSRC}/COPYING BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs LIB_DEPENDS= libhwloc.so:devel/hwloc -USES= cmake fortran perl5 pkgconfig shebangfix +USES= cmake:outsource fortran perl5 pkgconfig shebangfix SHEBANG_FILES= admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh bash_CMD= ${SH} USE_GNOME= libxml2 CMAKE_OFF= GMX_USE_RDTSCP \ USE_PYTHON_SCRIPTS USE_LDCONFIG= yes OPTIONS_DEFINE= ATLAS FLOAT OPENCL OPENMP SIMD X11 OPTIONS_SINGLE= MP OPTIONS_SINGLE_MP= NOMP MPICH2 OPENMPI THREAD_MPI OPTIONS_DEFAULT= FLOAT OPENMP THREAD_MPI X11 OPTIONS_SUB= yes ATLAS_DESC= Use ATLAS for BLAS and LAPACK ATLAS_USES= blaslapack:atlas ATLAS_USES_OFF= blaslapack ATLAS_CMAKE_ON= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libcblas.so;${LOCALBASE}/lib/libf77blas.so" \ -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libalapack.so" ATLAS_CMAKE_OFF= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libblas.so" \ -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/liblapack.so" FLOAT_DESC= Use single instead of double precision FLOAT_BUILD_DEPENDS= fftw3>0:math/fftw3 FLOAT_LIB_DEPENDS= libfftw3f.so:math/fftw3-float FLOAT_LIB_DEPENDS_OFF= libfftw3.so:math/fftw3 FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON FLOAT_PLIST_SUB= SUFFIX_D="" FLOAT_PLIST_SUB_OFF= SUFFIX_D="_d" OPENCL_CMAKE_BOOL= GMX_USE_OPENCL GMX_GPU OPENCL_LIB_DEPENDS= libOpenCL.so:devel/ocl-icd OPENMP_USES= compiler:openmp OPENMP_CMAKE_ON= -DGMX_CXX11:BOOL=OFF OPENMP_CMAKE_OFF= -DGMX_OPENMP:BOOL=OFF SIMD_CMAKE_OFF= -DGMX_SIMD:STRING="None" X11_USE= XORG=ice,sm,xext,x11 X11_CMAKE_BOOL= GMX_X11 MP_DESC= Multiprocessing NOMP_DESC= No multiprocessing support NOMP_PLIST_SUB= SUFFIX_MPI="" MPICH2_LIB_DEPENDS= libmpich.so:net/mpich2 MPICH2_CMAKE_ON= -DGMX_MPI:BOOL=ON \ -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc" MPICH2_PLIST_SUB= SUFFIX_MPI="_mpi" OPENMPI_BUILD_DEPENDS= openmpi>0:net/openmpi OPENMPI_RUN_DEPENDS= openmpi>0:net/openmpi OPENMPI_CMAKE_ON= -DGMX_MPI:BOOL=ON \ -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc" OPENMPI_PLIST_SUB= SUFFIX_MPI="_mpi" THREAD_MPI_DESC= Build a thread-MPI-based multithreaded version of GROMACS THREAD_MPI_CMAKE_BOOL= GMX_THREAD_MPI THREAD_MPI_PLIST_SUB= SUFFIX_MPI="" post-patch: @${FIND} ${WRKSRC} -name "CMakeLists.txt" | ${XARGS} \ ${REINPLACE_CMD} -e \ 's|share/man|man| ; \ /pkgconfig/s|LIB_INSTALL_DIR}|CMAKE_INSTALL_PREFIX}/libdata|' @${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \ 's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \ s|LDLIB}/pkgconfig|LDLIB}/../libdata/pkgconfig|' @${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \ ${WRKSRC}/cmake/gmxTestdlopen.cmake .include Index: head/science/gromacs/distinfo =================================================================== --- head/science/gromacs/distinfo (revision 477970) +++ head/science/gromacs/distinfo (revision 477971) @@ -1,3 +1,3 @@ -TIMESTAMP = 1529181533 -SHA256 (gromacs-2018.2.tar.gz) = 4bdde8120c510b6543afb4b18f82551fddb11851f7edbd814aa24022c5d37857 -SIZE (gromacs-2018.2.tar.gz) = 29899294 +TIMESTAMP = 1535127229 +SHA256 (gromacs-2018.3.tar.gz) = 4423a49224972969c52af7b1f151579cea6ab52148d8d7cbae28c183520aa291 +SIZE (gromacs-2018.3.tar.gz) = 29915626 Index: head/science/gromacs/pkg-plist =================================================================== --- head/science/gromacs/pkg-plist (revision 477970) +++ head/science/gromacs/pkg-plist (revision 477971) @@ -1,708 +1,708 @@ bin/GMXRC 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include/gromacs/commandline/filenm.h include/gromacs/commandline/pargs.h include/gromacs/commandline/viewit.h include/gromacs/fft/fft.h include/gromacs/fileio/confio.h include/gromacs/fileio/enxio.h include/gromacs/fileio/filetypes.h include/gromacs/fileio/gmxfio.h include/gromacs/fileio/matio.h include/gromacs/fileio/mtxio.h include/gromacs/fileio/oenv.h include/gromacs/fileio/pdbio.h include/gromacs/fileio/rgb.h include/gromacs/fileio/tpxio.h include/gromacs/fileio/trrio.h include/gromacs/fileio/trxio.h include/gromacs/fileio/xdr_datatype.h include/gromacs/fileio/xtcio.h include/gromacs/fileio/xvgr.h include/gromacs/gmxana/gstat.h include/gromacs/gpu_utils/hostallocator.h include/gromacs/linearalgebra/eigensolver.h include/gromacs/linearalgebra/matrix.h include/gromacs/linearalgebra/sparsematrix.h include/gromacs/listed-forces/listed-forces.h include/gromacs/math/3dtransforms.h include/gromacs/math/do_fit.h include/gromacs/math/functions.h include/gromacs/math/gmxcomplex.h 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include/gromacs/options/valuestore.h include/gromacs/pbcutil/ishift.h include/gromacs/pbcutil/pbc.h include/gromacs/pbcutil/rmpbc.h include/gromacs/random.h include/gromacs/random/exponentialdistribution.h include/gromacs/random/gammadistribution.h include/gromacs/random/normaldistribution.h include/gromacs/random/seed.h include/gromacs/random/tabulatednormaldistribution.h include/gromacs/random/threefry.h include/gromacs/random/uniformintdistribution.h include/gromacs/random/uniformrealdistribution.h include/gromacs/selection.h include/gromacs/selection/indexutil.h include/gromacs/selection/nbsearch.h include/gromacs/selection/position.h include/gromacs/selection/selection.h include/gromacs/selection/selectioncollection.h include/gromacs/selection/selectionenums.h include/gromacs/selection/selectionoption.h include/gromacs/selection/selectionoptionbehavior.h include/gromacs/selection/selectionoptionmanager.h include/gromacs/timing/wallcycle.h 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