# Created by: NAKATA, Maho # $FreeBSD$ 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) USES+= fortran:ifort BUILD_DEPENDS+= ${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc .else USES+= fortran .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 .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