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# Created by: NAKATA, Maho <maho@FreeBSD.org>
# $FreeBSD$
PORTNAME= 2dhf
PORTVERSION= 2005.05
PORTREVISION= 5
CATEGORIES= science
MASTER_SITES= http://www.fizyka.umk.pl/~jkob/2dhf/
DISTNAME= ${PORTNAME}-05.05
EXTRACT_SUFX= .tgz
MAINTAINER= maho@FreeBSD.org
COMMENT= A Numerical Hartree-Fock Program for Diatomic Molecules
BUILD_DEPENDS= bash:${PORTSDIR}/shells/bash
.if defined(WITH_INTEL)
USE_FORTRAN= ifort
BUILD_DEPENDS+= ${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
.endif
.if exists(${LOCALBASE}/lib/libatlas.so) && !defined(WITH_BLAS)
WITH_ATLAS= yes
.endif
.if defined(WITH_ATLAS)
LIB_DEPENDS+= atlas.2:${PORTSDIR}/math/atlas
BLAS= -lf77blas
.else
LIB_DEPENDS+= blas.2:${PORTSDIR}/math/blas
LIB_DEPENDS+= lapack.4:${PORTSDIR}/math/lapack
BLAS= -lblas
.endif
USE_FORTRAN= yes
.if defined(WITH_OPTIMIZED_FLAGS)
FFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double
.if (${MACHINE_ARCH} == "i386")
FFLAGS+= -mfancy-math-387
.endif # i386
.endif
.if defined(WITH_INTEL)
FC= ${LOCALBASE}/intel_fc_80/bin/ifort
CC= ${LOCALBASE}/intel_cc_80/bin/icc
FFLAGS= -O3 -tpp7 -xKW -Vaxlib
FFLAGS_ADD= -w -132
CFLAGS= -O3 -tpp7 -xKW -Vaxlib
BLAS+= -lg2c -lm
.else
FFLAGS_ADD= -w -ffixed-line-length-none
.endif
WRKSRC= ${WRKDIR}/${PORTNAME}
USE_GMAKE= yes
ALL_TARGET= all
NO_STAGE= yes
pre-everything::
@${ECHO_CMD} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
do-extract:
${MKDIR} ${WRKSRC}
@(cd ${WRKSRC} ; ${TAR} xfz ${DISTDIR}/${DISTNAME}${EXTRACT_SUFX})
post-patch:
@${REINPLACE_CMD} -e 's|%%FC%%|${FC}|g ; \
s|%%FFLAGS%%|${FFLAGS}|g ; \
s|%%FFLAGS_ADD%%|${FFLAGS_ADD}|g ; \
s|%%CC%%|${CC}|g ; \
s|%%CFLAGS%%|${CFLAGS}|g ; \
s|%%LOCALBASE%%|${LOCALBASE}|g ;\
s|%%BLAS%%|${BLAS}|g' \
${WRKSRC}/Makefile
@${REINPLACE_CMD} -e 's|%%PREFIX%%|${PREFIX}|g' \
${WRKSRC}/bin/xhf
do-install:
@cd ${WRKSRC} ; ${INSTALL_PROGRAM} bin/x2dhf ${PREFIX}/bin/x2dhf
@cd ${WRKSRC} ; ${INSTALL_SCRIPT} bin/xhf ${PREFIX}/bin/xhf
.if !defined(NOPORTDOCS)
@${MKDIR} ${DOCSDIR}
@cd ${WRKSRC}/doc ; ${INSTALL_DATA} 2dhf.pdf users-guide.pdf users-guide.html ${DOCSDIR}
@${MKDIR} ${EXAMPLESDIR}
@cd ${WRKSRC}/examples/ ; ${TAR} -chf - . | \
${TAR} -xf - -C ${EXAMPLESDIR}
.endif
.include <bsd.port.mk>
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