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129 lines
3.9 KiB
Makefile
129 lines
3.9 KiB
Makefile
# Created by: batman <batman@udel.edu>
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# $FreeBSD$
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PORTNAME= mpqc
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PORTVERSION= 2.3.1
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PORTREVISION= 20
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CATEGORIES= science parallel
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MASTER_SITES= SF
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MAINTAINER= maho@FreeBSD.org
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COMMENT= The massively parallel quantum computing library and program
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GNU_CONFIGURE= yes
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USES= fortran gmake perl5 tar:bzip2
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USE_AUTOTOOLS= autoconf
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USE_LDCONFIG= yes
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OPTIONS_DEFINE= DOCS
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NO_STAGE= yes
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.include <bsd.port.pre.mk>
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.if defined(WITH_ICC)
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BUILD_DEPENDS+= ${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
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.endif
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.if exists(${LOCALBASE}/lib/libatlas.so) && !defined(WITH_BLAS)
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WITH_ATLAS= yes
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.endif
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.if defined(WITH_ATLAS)
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LIB_DEPENDS+= libatlas.so:${PORTSDIR}/math/atlas
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BLAS= -lf77blas
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LAPACK= -lalapack -lcblas
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.else
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LIB_DEPENDS+= libblas.so:${PORTSDIR}/math/blas
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LIB_DEPENDS+= liblapack.so:${PORTSDIR}/math/lapack
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BLAS= -lblas
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LAPACK= -llapack
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.endif
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.if defined(WITH_MPICH)
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LIB_DEPENDS+= libmpich.so:${PORTSDIR}/net/mpich2
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.endif
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LIB_DEPENDS+= libint.so:${PORTSDIR}/science/libint
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.if ${PORT_OPTIONS:MDOCS}
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USE_TEX= latex:build
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BUILD_DEPENDS+= doxygen:${PORTSDIR}/devel/doxygen
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BUILD_DEPENDS+= dot:${PORTSDIR}/graphics/graphviz
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BUILD_DEPENDS+= ${LOCALBASE}/bin/gsed:${PORTSDIR}/textproc/gsed
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LIB_DEPENDS+= libexecinfo.so:${PORTSDIR}/devel/libexecinfo
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.endif
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.if defined(WITH_ICC)
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CC= ${LOCALBASE}/intel_cc_80/bin/icc
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CXX= ${LOCALBASE}/intel_cc_80/bin/icpc
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CFLAGS= -O3 -tpp7 -xMKW -Vaxlib
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CXXFLAGS= -O3 -tpp7 -xMKW -Vaxlib
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.endif
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CONFIGURE_ARGS+=--with-cc=${CC} \
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--with-cxx=${CXX} \
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--with-f77=${FC} \
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--with-include="-I${WRKDIR} -I${LOCALBASE}/include" \
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--with-libdirs="-L${LOCALBASE}/lib ${LDFLAGS}" \
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--with-blas="${BLAS}" \
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--with-lapack="${LAPACK}" \
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--with-coptflags="${CFLAGS}" \
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--with-cxxoptflags="${CXXFLAGS}" \
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--with-f77optflags="${FFLAGS}" \
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--enable-shared \
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--with-sc-datadir=${PREFIX}/share/mpqc/${PORTVERSION}
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.if defined(WITH_ICC)
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CONFIGURE_ARGS+=--with-libs="-lsvml"
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.endif
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.if defined(WITH_MPICH)
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CONFIGURE_ARGS+=--enable-always-use-mpi
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CONFIGURE_ENV+= PTHREAD_LIBS="${PTHREAD_LIBS}"
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.endif
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MPQC_COMMAND= ${PREFIX}/bin/mpqc
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.if ${PORT_OPTIONS:MDOCS}
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.include "${FILESDIR}/manpages"
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.endif
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.if defined(WITH_OPTIMIZED_FLAGS)
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CFLAGS+= -O2 -ffast-math
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CXXFLAGS+= -O2 -ffast-math
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.endif
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pre-configure:
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@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
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do-build:
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@cd ${WRKSRC} ; ${MAKE_CMD}
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.if ${PORT_OPTIONS:MDOCS}
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@cd ${WRKSRC}/doc ; ${MAKE_CMD}
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.endif
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do-install:
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(cd ${WRKSRC} ; ${MAKE_CMD} install)
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(cd ${WRKSRC} ; ${MAKE_CMD} install_devel)
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${MKDIR} ${PREFIX}/share/mpqc/validate
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cd ${WRKSRC}/src/bin/mpqc/validate/ ; ${TAR} -chf - . | \
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${TAR} -xf - -C ${PREFIX}/share/mpqc/validate
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${FIND} ${PREFIX}/share/mpqc/validate | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
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${FIND} ${PREFIX}/share/mpqc/validate -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
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.if ${PORT_OPTIONS:MDOCS}
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rm -f ${WRKSRC}/doc/man/man1/_*mpqc_*.1
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rm -f ${WRKSRC}/doc/man/man3/_*mpqc_*.3
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rm -f ${WRKSRC}/doc/man/man3/sc_PsiCCSD_T.3* #somehow this file is not generated in tinderbox
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(cd ${WRKSRC}/doc/man/man3 ; ${INSTALL_MAN} *3 ${PREFIX}/man/man3)
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(cd ${WRKSRC}/doc/man/man1 ; ${INSTALL_MAN} *1 ${PREFIX}/man/man1)
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${MKDIR} ${DOCSDIR}
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cd ${WRKSRC}/doc/html ; ${TAR} -chf - . | ${TAR} -xf - -C ${DOCSDIR}
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${FIND} ${DOCSDIR} | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
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${FIND} ${DOCSDIR} -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
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cd ${PREFIX} ; ${FIND} -s share/doc/${PORTNAME} -type f >> ${TMPPLIST}
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cd ${PREFIX} ; ${FIND} -s share/doc/${PORTNAME} -type l >> ${TMPPLIST}
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${ECHO_CMD} "@dirrm share/doc/${PORTNAME}" >> ${TMPPLIST}
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.endif
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cd ${PREFIX} ; ${FIND} -s share/mpqc -type f >> ${TMPPLIST}
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cd ${PREFIX} ; ${FIND} -s share/mpqc -type l >> ${TMPPLIST}
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cd ${PREFIX} ; ${FIND} -s share/mpqc -type d > ${WRKDIR}/dir.tmp
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${SORT} -r ${WRKDIR}/dir.tmp | ${XARGS} -n 1 ${ECHO_CMD} @dirrm >> ${TMPPLIST}
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validate:
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cd ${WRKSRC}/src/bin/mpqc/validate ; ${MAKE_CMD} check0 ; ${MAKE_CMD} check0_run ; ${MAKE_CMD} check0_chk
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.include <bsd.port.post.mk>
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