science/gromacs/Makefile

   1 # Created by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
   2 # $FreeBSD$
   3
   4 PORTNAME=       gromacs
   5 PORTVERSION=    5.0
   6 PORTREVISION=   5
   7 CATEGORIES=     science
   8 MASTER_SITES=   ftp://ftp.gromacs.org/pub/gromacs/
   9
  10 MAINTAINER=     ports@FreeBSD.org
  11 COMMENT=        Compute molecular dynamics
  12
  13 LICENSE=        LGPL21
  14
  15 BUILD_DEPENDS=  boost-libs>=1.44:${PORTSDIR}/devel/boost-libs
  16
  17 USES=           cmake fortran perl5 pkgconfig shebangfix
  18 SHEBANG_FILES=  admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh
  19 bash_CMD=       ${SH}
  20 USE_GNOME=      libxml2
  21 CMAKE_ARGS=     -DGMX_USE_RDTSCP:BOOL=OFF \
  22                 -DUSE_PYTHON_SCRIPTS:BOOL=OFF
  23 USE_LDCONFIG=   yes
  24
  25 OPTIONS_DEFINE=         ATLAS FLOAT SIMD X11
  26 OPTIONS_RADIO=          MPI
  27 OPTIONS_RADIO_MPI=      MPICH OMPI
  28 OPTIONS_DEFAULT=        FLOAT X11
  29 OPTIONS_SUB=            yes
  30
  31 ATLAS_DESC=             Use ATLAS for BLAS and LAPACK
  32 ATLAS_LIB_DEPENDS=      libalapack.so:${PORTSDIR}/math/atlas
  33 ATLAS_LIB_DEPENDS_OFF=  libblas.so:${PORTSDIR}/math/blas \
  34                         liblapack.so:${PORTSDIR}/math/lapack
  35 ATLAS_CMAKE_ON=         -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libcblas.so;${LOCALBASE}/lib/libf77blas.so" \
  36                         -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libalapack.so"
  37 ATLAS_CMAKE_OFF=        -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libblas.so" \
  38                         -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/liblapack.so"
  39 FLOAT_DESC=             Use single instead of double precision
  40 FLOAT_BUILD_DEPENDS=    fftw3>0:${PORTSDIR}/math/fftw3
  41 FLOAT_LIB_DEPENDS=      libfftw3f.so:${PORTSDIR}/math/fftw3-float
  42 FLOAT_LIB_DEPENDS_OFF=  libfftw3.so:${PORTSDIR}/math/fftw3
  43 FLOAT_CMAKE_ON=         -DGMX_DOUBLE:BOOL=OFF
  44 FLOAT_CMAKE_OFF=        -DGMX_DOUBLE:BOOL=ON
  45 MPICH_DESC=             MPI support using net/mpich2
  46 MPICH_LIB_DEPENDS=      libmpich.so:${PORTSDIR}/net/mpich2
  47 MPICH_CMAKE_ON=         -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
  48 OMPI_DESC=              MPI support using net/openmpi
  49 OMPI_BUILD_DEPENDS=     openmpi>0:${PORTSDIR}/net/openmpi
  50 OMPI_RUN_DEPENDS=       openmpi>0:${PORTSDIR}/net/openmpi
  51 OMPI_CMAKE_ON=          -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
  52 SIMD_CMAKE_OFF=         -DGMX_SIMD:STRING="None"
  53 X11_USE=                XORG=xext,x11
  54 X11_CMAKE_ON=           -DGMX_X11:BOOL=ON
  55 X11_CMAKE_OFF=          -DGMX_X11:BOOL=OFF
  56
  57 .include <bsd.port.options.mk>
  58
  59 .if ${PORT_OPTIONS:MFLOAT}
  60 PLIST_SUB+=     SUFFIX_D=""
  61 .else
  62 PLIST_SUB+=     SUFFIX_D="_d"
  63 .endif
  64
  65 .if ${PORT_OPTIONS:MMPICH} || ${PORT_OPTIONS:MOMPI}
  66 CMAKE_ARGS+=    -DGMX_MPI:BOOL=ON
  67 PLIST_SUB+=     SUFFIX_MPI="_mpi"
  68 .else
  69 CMAKE_ARGS+=    -DGMX_MPI:BOOL=OFF
  70 PLIST_SUB+=     SUFFIX_MPI=""
  71 .endif
  72
  73 post-patch:
  74         @${FIND} ${WRKSRC} -name "CMakeLists.txt" | ${XARGS} \
  75                 ${REINPLACE_CMD} -e \
  76                 's|share/man|man| ; \
  77                  /pkgconfig/s|LIB_INSTALL_DIR}|CMAKE_INSTALL_PREFIX}/libdata|'
  78         @${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \
  79                 's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \
  80                  s|LDLIB}/pkgconfig|LDLIB}/../libdata/pkgconfig|'
  81         @${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \
  82                 ${WRKSRC}/cmake/gmxTestdlopen.cmake
  83
  84 .include <bsd.port.mk>