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95 lines
3.0 KiB
Makefile
95 lines
3.0 KiB
Makefile
# Created by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
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# $FreeBSD$
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PORTNAME= gromacs
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DISTVERSION= 2020.2
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CATEGORIES= science
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MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Compute molecular dynamics
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LICENSE= LGPL21
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LICENSE_FILE= ${WRKSRC}/COPYING
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BROKEN_i386= undefined reference to `__atomic_load' and `__atomic_compare_exchange'
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BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs
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LIB_DEPENDS= libhwloc.so:devel/hwloc
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USES= cmake compiler:c++14-lang fortran gnome perl5 pkgconfig shebangfix xorg
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SHEBANG_FILES= admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh
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bash_CMD= ${SH}
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USE_GNOME= libxml2
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CMAKE_OFF= GMX_USE_RDTSCP \
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USE_PYTHON_SCRIPTS
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USE_LDCONFIG= yes
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OPTIONS_DEFINE= ATLAS FLOAT OPENCL OPENMP SIMD X11
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OPTIONS_SINGLE= MP
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OPTIONS_SINGLE_MP= NOMP MPICH OPENMPI THREAD_MPI
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OPTIONS_DEFAULT= FLOAT OPENMP THREAD_MPI X11
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OPTIONS_SUB= yes
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ATLAS_DESC= Use ATLAS for BLAS and LAPACK
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ATLAS_USES= blaslapack:atlas
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ATLAS_USES_OFF= blaslapack
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ATLAS_CMAKE_ON= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libcblas.so;${LOCALBASE}/lib/libf77blas.so" \
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-DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libalapack.so"
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ATLAS_CMAKE_OFF= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libblas.so" \
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-DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/liblapack.so"
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FLOAT_DESC= Use single instead of double precision
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FLOAT_BUILD_DEPENDS= fftw3>0:math/fftw3
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FLOAT_LIB_DEPENDS= libfftw3f.so:math/fftw3-float
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FLOAT_LIB_DEPENDS_OFF= libfftw3.so:math/fftw3
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FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF
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FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON
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FLOAT_PLIST_SUB= SUFFIX_D=""
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FLOAT_PLIST_SUB_OFF= SUFFIX_D="_d"
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OPENCL_CMAKE_BOOL= GMX_USE_OPENCL GMX_GPU
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OPENCL_LIB_DEPENDS= libOpenCL.so:devel/ocl-icd
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OPENMP_CMAKE_ON= -DGMX_CXX11:BOOL=OFF
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OPENMP_CMAKE_OFF= -DGMX_OPENMP:BOOL=OFF
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SIMD_CMAKE_OFF= -DGMX_SIMD:STRING="None"
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X11_USE= XORG=ice,sm,xext,x11
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X11_CMAKE_BOOL= GMX_X11
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MP_DESC= Multiprocessing
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NOMP_DESC= No multiprocessing support
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NOMP_PLIST_SUB= SUFFIX_MPI=""
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MPICH_DESC= Parallel processing support via MPICH
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MPICH_LIB_DEPENDS= libmpich.so:net/mpich
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MPICH_CMAKE_ON= -DGMX_MPI:BOOL=ON \
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-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
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MPICH_PLIST_SUB= SUFFIX_MPI="_mpi"
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OPENMPI_BUILD_DEPENDS= openmpi>0:net/openmpi
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OPENMPI_RUN_DEPENDS= openmpi>0:net/openmpi
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OPENMPI_CMAKE_ON= -DGMX_MPI:BOOL=ON \
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-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
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OPENMPI_PLIST_SUB= SUFFIX_MPI="_mpi"
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THREAD_MPI_DESC= Build a thread-MPI-based multithreaded version of GROMACS
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THREAD_MPI_CMAKE_BOOL= GMX_THREAD_MPI
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THREAD_MPI_PLIST_SUB= SUFFIX_MPI=""
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post-patch:
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@${FIND} ${WRKSRC} -name "CMakeLists.txt" | ${XARGS} \
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${REINPLACE_CMD} -e \
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's|share/man|man| ; \
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/pkgconfig/s|LIB_INSTALL_DIR}|CMAKE_INSTALL_PREFIX}/libdata|'
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@${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \
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's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \
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s|LDLIB}/pkgconfig|LDLIB}/../libdata/pkgconfig|'
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@${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \
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${WRKSRC}/cmake/gmxTestdlopen.cmake
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.include <bsd.port.mk>
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