pkgsrc/biology/mopac/Makefile

# $NetBSD: Makefile,v 1.8 2015/06/27 07:08:13 dholland Exp $
#

DISTNAME=		mopac7
PKGNAME=		mopac-7.0
PKGREVISION=		1
CATEGORIES=		biology math
MASTER_SITES=		http://server.ccl.net/cca/software/LINUX/mopac7/
EXTRACT_SUFX=		.tar.Z
DISTFILES=		${DEFAULT_DISTFILES} mopac7-man.tar.gz

PATCH_SITES=		${MASTER_SITES:=old-version-95.06.21/}
PATCHFILES=		mopac7-linux.diff.gz
PATCH_DIST_STRIP=	-p1

MAINTAINER=		pkgsrc-users@NetBSD.org
HOMEPAGE=		http://server.ccl.net/cca/software/LINUX/mopac7/index.shtml
COMMENT=		Molecular energy calculation program

WRKSRC=			${WRKDIR}/mopac7
BUILD_TARGET=		MOPAC7
USE_TOOLS+=		gmake pax
USE_LANGUAGES=		fortran77
PKG_FC=			f2c-f77

INSTALLATION_DIRS=	bin share/mopac7/sample

.include "../../mk/compiler.mk"
.if !empty(PKGSRC_COMPILER:Mclang) || !empty(PKGSRC_COMPILER:Mgcc)
ALL_ENV+=	PKGSRC_FFLAGS=-freal-loops
.endif

pre-build:
	cp ${WRKSRC}/esp.rof ${WRKSRC}/esp.f
	rm -f ${WRKSRC}/Makefile
	cp ${FILESDIR}/Makefile ${WRKSRC}

do-install:
	${INSTALL_SCRIPT} ${WRKSRC}/mopac ${DESTDIR}${PREFIX}/bin
	${INSTALL_PROGRAM} ${WRKSRC}/MOPAC7 ${DESTDIR}${PREFIX}/bin
	cd ${WRKSRC} && pax -wr test_* \
	  ${DESTDIR}${PREFIX}/share/mopac7/sample
	cd ${WRKDIR} && pax -wr mopac7-man ${DESTDIR}${PREFIX}/share/mopac7

# "g77" can not be used for external function

.include "../../devel/libf2c/buildlink3.mk"
.include "../../mk/bsd.pkg.mk"
Pass -freal-loops if the compiler is clang or gcc. This does not fix the build, but it gets further now. 2015-06-27 09:08:13 +02:00			`# $NetBSD: Makefile,v 1.8 2015/06/27 07:08:13 dholland Exp $`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`#`

			`DISTNAME= mopac7`
			`PKGNAME= mopac-7.0`
Follow f2c/libf2c split: bump revision of all packages that list Fortran in used languages. 2009-12-03 14:06:51 +01:00			`PKGREVISION= 1`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`CATEGORIES= biology math`
			`MASTER_SITES= http://server.ccl.net/cca/software/LINUX/mopac7/`
			`EXTRACT_SUFX= .tar.Z`
			`DISTFILES= ${DEFAULT_DISTFILES} mopac7-man.tar.gz`

			`PATCH_SITES= ${MASTER_SITES:=old-version-95.06.21/}`
			`PATCHFILES= mopac7-linux.diff.gz`
			`PATCH_DIST_STRIP= -p1`

Reset maintainer, mail bounced 2009-02-17 14:02:20 +01:00			`MAINTAINER= pkgsrc-users@NetBSD.org`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`HOMEPAGE= http://server.ccl.net/cca/software/LINUX/mopac7/index.shtml`
			`COMMENT= Molecular energy calculation program`

			`WRKSRC= ${WRKDIR}/mopac7`
			`BUILD_TARGET= MOPAC7`
Second round of explicit pax dependencies. As reminded by tnn@, many packages used to use ${PAX}. Use the common way of directly calling pax, it is created as tool after all. 2008-05-26 04:13:14 +02:00			`USE_TOOLS+= gmake pax`
"fortran" -> "fortran77" except where it is clear that it isn't F77. "fortran" is alias of "fortran77" for now, but it will change later. 2010-07-30 12:36:22 +02:00			`USE_LANGUAGES= fortran77`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`PKG_FC= f2c-f77`

			`INSTALLATION_DIRS= bin share/mopac7/sample`

Pass -freal-loops if the compiler is clang or gcc. This does not fix the build, but it gets further now. 2015-06-27 09:08:13 +02:00			`.include "../../mk/compiler.mk"`
			`.if !empty(PKGSRC_COMPILER:Mclang) \|\| !empty(PKGSRC_COMPILER:Mgcc)`
			`ALL_ENV+= PKGSRC_FFLAGS=-freal-loops`
			`.endif`

Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`pre-build:`
			`cp ${WRKSRC}/esp.rof ${WRKSRC}/esp.f`
			`rm -f ${WRKSRC}/Makefile`
			`cp ${FILESDIR}/Makefile ${WRKSRC}`

			`do-install:`
			`${INSTALL_SCRIPT} ${WRKSRC}/mopac ${DESTDIR}${PREFIX}/bin`
			`${INSTALL_PROGRAM} ${WRKSRC}/MOPAC7 ${DESTDIR}${PREFIX}/bin`
Second round of explicit pax dependencies. As reminded by tnn@, many packages used to use ${PAX}. Use the common way of directly calling pax, it is created as tool after all. 2008-05-26 04:13:14 +02:00			`cd ${WRKSRC} && pax -wr test_* \`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`${DESTDIR}${PREFIX}/share/mopac7/sample`
Second round of explicit pax dependencies. As reminded by tnn@, many packages used to use ${PAX}. Use the common way of directly calling pax, it is created as tool after all. 2008-05-26 04:13:14 +02:00			`cd ${WRKDIR} && pax -wr mopac7-man ${DESTDIR}${PREFIX}/share/mopac7`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00
			`# "g77" can not be used for external function`

libf2c did split 2009-12-03 20:01:05 +01:00			`.include "../../devel/libf2c/buildlink3.mk"`
Import mopac-7.0 as pkgsrc/biology/mopac. Mopac is semiempirical molecular energy calculation program for chemistry and physics. From pkgsrc-wip, original from PR pkg/18046 by Osamu OISHI. 2008-03-09 18:52:57 +01:00			`.include "../../mk/bsd.pkg.mk"`