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# New ports collection makefile for: mpqc
# Date created: 27 April 2001
# Whom: batman <batman@udel.edu>
#
# $FreeBSD$
#
PORTNAME= mpqc
PORTVERSION= 2.3.0
CATEGORIES= science parallel
MASTER_SITES= ${MASTER_SITE_SOURCEFORGE}
MASTER_SITE_SUBDIR= mpqc
DISTFILES= mpqc-${PORTVERSION}.tar.bz2 mpqc-val-${OLDDISTVERSION}.tar.bz2
.if !defined(NOPORTDOCS)
DISTFILES+= mpqc-man-${OLDDISTVERSION}.tar.bz2 mpqc-html-${OLDDISTVERSION}.tar.bz2
.endif
MAINTAINER= maho@FreeBSD.org
COMMENT= The massively parallel quantum computing library and program
USE_PERL5= yes
USE_GMAKE= yes
USE_BZIP2= yes
ALL_TARGET= # empty
PLIST_SUB+= VERSION=${PORTVERSION}
.include <bsd.port.pre.mk>
.if defined(WITH_ICC)
BUILD_DEPENDS+= ${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
.endif
.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
WITH_ATLAS= yes
.endif
.if defined(WITH_ATLAS)
LIB_DEPENDS+= atlas.1:${PORTSDIR}/math/atlas
BLAS= -lf77blas -lcblas -latlas
LAPACK= -lalapack
.else
LIB_DEPENDS+= blas.1:${PORTSDIR}/math/blas
LIB_DEPENDS+= lapack.3:${PORTSDIR}/math/lapack
BLAS= -lblas
LAPACK= -llapack
.endif
.if defined(WITH_MPICH)
BUILD_DEPENDS+= ${LOCALBASE}/mpich2/lib/libmpich.a:${PORTSDIR}/net/mpich2
.endif
GNU_CONFIGURE= yes
USE_AUTOTOOLS= autoconf:259
.if defined(WITH_ICC)
CC= ${LOCALBASE}/intel_cc_80/bin/icc
CXX= ${LOCALBASE}/intel_cc_80/bin/icpc
CFLAGS= -O3 -tpp7 -xMKW -Vaxlib
CXXFLAGS= -O3 -tpp7 -xMKW -Vaxlib
.endif
OLDDISTVERSION= 2.2.3
CONFIGURE_ARGS+=--with-cc=${CC} \
--with-cxx=${CXX} \
--with-f77=${FC} \
--with-libdirs=-L${LOCALBASE}/lib \
--with-blas="${BLAS}" \
--with-lapack="${LAPACK}" \
--with-coptflags="${CFLAGS}" \
--with-cxxoptflags="${CXXFLAGS}" \
--with-f77optflags="${FFLAGS}" \
--with-include="-I${WRKDIR}"
.if defined(WITH_ICC)
CONFIGURE_ARGS+=--with-libs="-lsvml"
.endif
.if defined(WITH_MPICH)
CONFIGURE_ARGS+=--with-libdirs="-L${LOCALBASE}/lib -L${LOCALBASE}/mpich2/lib"\
--with-include="-I${LOCALBASE}/mpich2/include -I${WRKDIR}" \
--enable-always-use-mpi
.endif
MPQC_COMMAND= ${PREFIX}/bin/mpqc
.include "${FILESDIR}/manpages"
.if defined(WITH_OPTIMIZED_FLAGS)
CFLAGS+= -O2 -ffast-math
CXXFLAGS+= -O2 -ffast-math
.endif
pre-configure:
@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
#${CP} ${FILESDIR}/FlexLexer.h ${WRKDIR}
do-install:
@cd ${WRKSRC} ; ${GMAKE} install
@cd ${WRKSRC} ; ${GMAKE} install_devel
@cd ${WRKDIR}/${PORTNAME}-man-${OLDDISTVERSION}/man3/ ; \
${INSTALL_MAN} * ${PREFIX}/man/man3
@${MKDIR} ${PREFIX}/share/mpqc/ref
@cd ${WRKDIR}/ref/ ; ${TAR} -chf - . | \
${TAR} -xf - -C ${PREFIX}/share/mpqc/ref
@${FIND} ${PREFIX}/share/mpqc/ref | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
@${FIND} ${PREFIX}/share/mpqc/ref -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
post-install:
.if !defined(NOPORTDOCS)
@${MKDIR} ${DOCSDIR}
@cd ${WRKDIR}/${PORTNAME}-html-${OLDDISTVERSION} && ${TAR} -chf - . | \
${TAR} -xf - -C ${DOCSDIR}
@${FIND} ${DOCSDIR} | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
@${FIND} ${DOCSDIR} -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
.endif
validate: # it takes few days
@cd ${WRKSRC}/src/bin/mpqc/validate ; ${RM} -f ref ; ${LN} -s ${WRKSRC}/../ref .
@cd ${WRKSRC}/src/bin/mpqc/validate ; ${GMAKE} inputs
@cd ${WRKSRC}/src/bin/mpqc/validate ; \
for i in run/*.in ; \
do \
${ECHO} "Now calculating `basename $$i`"; \
${MPQC_COMMAND} $$i > $${i%.in}.out ; \
done
@cd ${WRKSRC}/src/bin/mpqc/validate ; ${GMAKE} check
.include <bsd.port.post.mk>
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