150 lines
5.4 KiB
Makefile
150 lines
5.4 KiB
Makefile
# New ports collection makefile for: gamess
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# Date created: 2007-3-13
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# Whom: NAKATA Maho <maho@FreeBSD.org>
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#
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# $FreeBSD$
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#
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PORTNAME= gamess
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PORTVERSION= ${SNAPDATE}
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PORTREVISION= 1
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CATEGORIES= science
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MASTER_SITES= #http://www.msg.ameslab.gov/GAMESS/License_Agreement.html
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DISTNAME= gamess-current
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DIST_SUBDIR= ${PORTNAME}/${PORTVERSION}
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MAINTAINER= maho@FreeBSD.org
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COMMENT= A freely obtainable ab-initio molecular orbital calculation program
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USE_GMAKE= yes
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WRKSRC= ${WRKDIR}/gamess
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SNAPDATE= 20090112.1
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USE_FORTRAN= yes
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RESTRICTED= NOT DISTRIBUTED FREELY. BUT YOU CAN OBTAIN SOURCE CODE FREELY.
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NO_CDROM= ${RESTRICTED}
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.if !exists(${DISTDIR}/${DISTFILES})
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IGNORE=You must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please selsect "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable.
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.endif
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MANUAL_PACKAGE_BUILD=You must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please selsect "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable.
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.include <bsd.port.pre.mk>
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USE_BLAS?= reference
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.if exists(${LOCALBASE}/lib/libgoto.so)
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USE_BLAS= gotoblas
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.elif exists(${LOCALBASE}/lib/libatlas_r.so)
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USE_BLAS= atlas
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.endif
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. if ${USE_BLAS} == reference
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LIB_DEPENDS+= blas.2:${PORTSDIR}/math/blas
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LIB_DEPENDS+= lapack.4:${PORTSDIR}/math/lapack
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BLAS= -lblas
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LAPACK= -llapack
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.elif ${USE_BLAS} == gotoblas
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LIB_DEPENDS+= goto:${PORTSDIR}/math/gotoblas
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LIB_DEPENDS+= lapack.4:${PORTSDIR}/math/lapack
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BLAS= -lgotop
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LAPACK= -lgotop -llapack
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.elif ${USE_BLAS} == atlas
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LIB_DEPENDS+= atlas:${PORTSDIR}/math/atlas
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BLAS= -lptf77blas -lptcblas -latlas_r
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LAPACK= -lalapack_r
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.endif
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MAKE_ENV+= LANG="C"
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.if defined(WITH_OPTIMIZED_FLAGS)
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.if ${ARCH} == "amd64"
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CFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
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FFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
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.elif ${ARCH} == "i386"
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CFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
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FFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
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.endif
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.endif
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#WITH_IFC= yes #currently building with ifc is broken
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.if defined(WITH_IFC)
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FC= ${LOCALBASE}/intel_fc_80/bin/ifort
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F77= ${LOCALBASE}/intel_fc_80/bin/ifort
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CC= ${LOCALBASE}/intel_cc_80/bin/icc
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FFLAGS= -axP -xW -ipo -O3 -Vaxlib
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CFLAGS= -axP -xW -ipo -O3 -Vaxlib
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LIBSVM= -lsvml
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LIBG2C= -lg2c
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.else
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LIBG2C=
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LIBSVM=
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.endif
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.if defined(WITH_IFC)
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FORTRAN= ifort
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.else
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FORTRAN= gfortran
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.endif
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pre-build:
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.if ${ARCH} == "amd64"
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-amd64+g' ${WRKSRC}/comp
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-amd64+g' ${WRKSRC}/compall
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-amd64+g' ${WRKSRC}/ddi/compddi
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-amd64+g' ${WRKSRC}/lked
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.elif ${ARCH} == "i386"
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-i386+g' ${WRKSRC}/comp
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-i386+g' ${WRKSRC}/compall
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-i386+g' ${WRKSRC}/ddi/compddi
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd-i386+g' ${WRKSRC}/lked
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.endif
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@${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%LOCALBASE%%+${LOCALBASE}+g ; \
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s+%%LIBSVM%%+${LIBSVM}+g ; \
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s+%%LIBG2C%%+${LIBG2C}+g ; \
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s+%%BLAS%%+${BLAS}+g ; \
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s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g' \
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${WRKSRC}/lked
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@${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%FFLAGS%%+${FFLAGS}+g ; \
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s+%%FORTRAN%%+${FORTRAN}+g' \
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${WRKSRC}/comp
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@${REINPLACE_CMD} -e 's+%%CC%%+${CC}+g' \
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${WRKSRC}/compall
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@${REINPLACE_CMD} -e 's+%%PREFIX%%+${PREFIX}+g' \
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${WRKSRC}/rungms
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@${REINPLACE_CMD} -e 's+%%PTHREAD_CFLAGS%%+${PTHREAD_CFLAGS}+g ; \
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s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g ; \
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s+%%UNDERSCORES%%+${UNDERSCORES}+g ; \
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s+%%FORTRAN%%+${FORTRAN}+g ; \
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s+%%CC%%+${CC}+g' \
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${WRKSRC}/ddi/compddi
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${CP} ${FILESDIR}/Makefile.top ${WRKSRC}/Makefile
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${CP} ${FILESDIR}/Makefile.tools ${WRKSRC}/tools/Makefile
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@${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%FFLAGS%%+${FFLAGS}+g' \
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${WRKSRC}/tools/Makefile
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do-build:
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(cd ${WRKSRC}; ${GMAKE})
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do-install:
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${MKDIR} ${PREFIX}/bin/gms
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${MKDIR} ${PREFIX}/share/gamess
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${MKDIR} ${PREFIX}/share/gamess/mcpdata
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${MKDIR} ${PREFIX}/share/doc/gamess
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${MKDIR} ${PREFIX}/share/examples/gamess
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${INSTALL_SCRIPT} ${WRKDIR}/gamess/rungms ${PREFIX}/bin/gamess
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${CHMOD} 555 ${PREFIX}/bin/gamess
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${INSTALL_PROGRAM} ${WRKDIR}/gamess/gamess.00.x ${PREFIX}/bin/gms
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${INSTALL_PROGRAM} ${WRKDIR}/gamess/ddi/ddikick.x ${PREFIX}/bin/gms
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${INSTALL_DATA} ${WRKDIR}/gamess/*.DOC ${PREFIX}/share/doc/gamess/
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${INSTALL_DATA} ${WRKDIR}/gamess/tests/*.inp ${PREFIX}/share/examples/gamess/
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${INSTALL_DATA} ${WRKDIR}/gamess/ericfmt.dat ${PREFIX}/share/gamess/
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${INSTALL_DATA} ${WRKDIR}/gamess/mcpdata/* ${PREFIX}/share/gamess/mcpdata/
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${INSTALL_DATA} ${WRKDIR}/gamess/ddi/readme.ddi ${PREFIX}/share/doc/gamess/
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.include <bsd.port.post.mk>
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