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| author | maho <maho@FreeBSD.org> | 2003-07-24 17:50:24 +0800 |
|---|---|---|
| committer | maho <maho@FreeBSD.org> | 2003-07-24 17:50:24 +0800 |
| commit | 501808dc7b61aa0b2ae3bdf7eda2335569580849 (patch) | |
| tree | 6e87e470bdf7c939f39d6c25c3c3de546f0f4efb /science/2dhf/Makefile | |
| parent | 8df2a3f7074183f206bf18958f6ec66eb5a9d57f (diff) | |
| download | freebsd-ports-graphics-501808dc7b61aa0b2ae3bdf7eda2335569580849.tar.gz freebsd-ports-graphics-501808dc7b61aa0b2ae3bdf7eda2335569580849.tar.zst freebsd-ports-graphics-501808dc7b61aa0b2ae3bdf7eda2335569580849.zip | |
Added a Numerical Hartree-Fock Program for Diatomic Molecules.
This program package calcluates virtually exact solution of the
Hartree-Fock and Hartree-Fock-Salter equations for diatomic
molecules (distributed under GPL).
Diffstat (limited to 'science/2dhf/Makefile')
| -rw-r--r-- | science/2dhf/Makefile | 63 |
1 files changed, 63 insertions, 0 deletions
diff --git a/science/2dhf/Makefile b/science/2dhf/Makefile new file mode 100644 index 00000000000..bb16469d899 --- /dev/null +++ b/science/2dhf/Makefile @@ -0,0 +1,63 @@ +# New ports collection makefile for: 2dhf +# Date created: 24 July 2003 +# Whom: NAKATA, Maho <maho@FreeBSD.org> +# +# $FreeBSD$ +# + +PORTNAME= 2dhf +PORTVERSION= 2003.02 +CATEGORIES= science +MASTER_SITES= http://staff.csc.fi/~laaksone/2d/admin/ +DISTNAME= ${PORTNAME}_02.03 +EXTRACT_SUFX= .tgz + +MAINTAINER= maho@FreeBSD.org +COMMENT= A Numerical Hartree-Fock Program for Diatomic Molecules + +LIB_DEPENDS= lapack:${PORTSDIR}/math/lapack \ + atlas:${PORTSDIR}/math/atlas + +.if defined(WITH_OPTIMIZED_FLAGS) +FFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double +.if (${MACHINE_ARCH} == "i386") +FFLAGS+= -mfancy-math-387 +.endif # i386 +.endif + +pre-everything:: + @${ECHO_CMD} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes." + +WRKSRC= ${WRKDIR}/${PORTNAME} +USE_GMAKE= yes +USE_REINPLACE= 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,%%CC%%,${CC},g ; \ + s,%%CFLAGS%%,${CFLAGS},g ; \ + s,%%LOCALBASE%%,${LOCALBASE},g' \ + ${WRKSRC}/Makefile + @${REINPLACE_CMD} -e 's,%%PREFIX%%,${PREFIX},g' \ + ${WRKSRC}/bin/xhf +do-build: + @${MKDIR} ${WRKSRC}/obj ; cd ${WRKSRC} ; ${GMAKE} + +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 ${DOCSDIR} + @${MKDIR} ${DOCSDIR}/users_guide + @cd ${WRKSRC}/doc/users_guide ; ${INSTALL_DATA} * ${DOCSDIR}/users_guide + @${MKDIR} ${EXAMPLESDIR} + @cd ${WRKSRC}/examples/ ; ${TAR} -chf - . | \ + ${TAR} -xf - -C ${EXAMPLESDIR} +.endif +.include <bsd.port.mk> |