head	1.3;
access;
symbols
	RELEASE_5_0_0:1.2
	RELEASE_4_7_0:1.2
	RELEASE_4_6_2:1.1
	RELEASE_4_6_1:1.1
	RELEASE_4_6_0:1.1
	RELEASE_5_0_DP1:1.1
	RELEASE_4_5_0:1.1
	RELEASE_4_4_0:1.1
	RELEASE_4_3_0:1.1;
locks; strict;
comment	@# @;


1.3
date	2003.01.31.22.37.38;	author maho;	state dead;
branches;
next	1.2;

1.2
date	2002.08.31.02.38.29;	author kris;	state Exp;
branches;
next	1.1;

1.1
date	2001.02.10.19.38.18;	author sf;	state Exp;
branches;
next	;


desc
@@


1.3
log
@Delete biology/gaussian98. Maintain is too hard and
gray in license
@
text
@# New ports collection makefile for:	gaussian98
# Date created:		Feb 10 2001
# Whom:			NAKATA, Maho <chat95@@mbox.kyoto-inet.or.jp>
#
# $FreeBSD: ports/biology/gaussian98/Makefile,v 1.2 2002/08/31 02:38:29 kris Exp $
#

PORTNAME=	gaussian98
PORTVERSION=	1.0.7
CATEGORIES=	biology
MASTER_SITES=	file:${CD_MOUNTPT}/TAR/
DISTNAME=	WKSSRC
EXTRACT_SUFX=	.TAR

MAINTAINER=	chat95@@mbox.kyoto-inet.or.jp

LIB_DEPENDS=	blas:${PORTSDIR}/math/blas

USE_GMAKE=	yes
INSTALLS_SHLIB=	yes
WRKSRC=		${WRKDIR}/g98

NO_CDROM=	"You must purchase a licensed copy from Gaussian inc."
NO_PACKAGE=	"You must purchase a licensed copy from Gaussian inc."
RESTRICTED=	"You must purchase a licensed copy from Gaussian inc."

.include <bsd.port.pre.mk>

.if ${OSVERSION} < 400013
F77?=		g77
.else
F77?=		f77
.endif

post-extract:
	${RM} ${DISTDIR}/${DISTFILES}

post-patch:
	@@${SED} -e s+@@PREFIX@@+${PREFIX}+ ${FILESDIR}/gaussian98  > ${WRKSRC}/gaussian98
	@@${ECHO} "You can override and FFLAGS on the command line."
	@@${ECHO} "Following is an recommended one."
	@@${ECHO} "make FFLAGS=\"-malign-double -fexpensive-optimizations -O4 -ffast-math -funroll-loops\""

MAKE_ENV=	"GMAKE=${GMAKE} F77=${F77} PREFIX=${PREFIX}"

do-build:
	(cd ${WRKSRC}; ${SETENV} ${MAKE_ENV} csh ./bsd/bldg98)

do-install:
	@@${MKDIR} ${PREFIX}/bin/g98/bsd \
	 	  ${PREFIX}/share/gaussian98/explore/examples \
	 	  ${PREFIX}/share/gaussian98/explore/exercise \
		  ${PREFIX}/share/gaussian98/explore/quick
	@@(cd ${WRKSRC}/bsd; \
	  ${INSTALL_SCRIPT} gau-unlimit set-mflags g98.login \
		${PREFIX}/bin/g98/bsd; \
	  cd ${WRKSRC}; \
	  ${INSTALL_PROGRAM} gauopt ghelp newzmat testrt cubegen cubman \
		c8698 ham506 cktoig rwfdump chkmove freqchk freqmem formchk \
		demofc chkchk pluck unfchk g98 *.exe gau-machine \
		${PREFIX}/bin/g98; \
	  ${INSTALL_SCRIPT} gaussian98 ${PREFIX}/bin; \
	  ${INSTALL_DATA} ${WRKSRC}/libgauutil.so.1 ${PREFIX}/lib; \
	  cd ${PREFIX}/lib; ${LN} -sf libgauutil.so.1 libgauutil.so; \
	  cd ${WRKSRC}/explore/examples; \
	  ${INSTALL_DATA} * ${PREFIX}/share/gaussian98/explore/examples; \
	  cd ${WRKSRC}/explore/exercise; \
	  ${INSTALL_DATA} *  ${PREFIX}/share/gaussian98/explore/exercise; \
	  cd ${WRKSRC}/explore/quick; \
	  ${INSTALL_DATA} * ${PREFIX}/share/gaussian98/explore/quick)

.include <bsd.port.post.mk>
@


1.2
log
@Remove USE_NEWGCC, which is no longer supported or required.

Submitted by:	Tilman Linneweh <tilman@@arved.de>
PR:		ports/40571
@
text
@d5 1
a5 1
# $FreeBSD$
@


1.1
log
@add gaussian98, an ab-initio molecular orbital calculation program.

PR:             23577
Submitted by:   NAKATA, Maho <chat95@@mbox.kyoto-inet.or.jp>
@
text
@a29 1
USE_NEWGCC=	yes
@

