head	1.18;
access;
symbols
	pkgsrc-2026Q1:1.18.0.2
	pkgsrc-2026Q1-base:1.18
	pkgsrc-2025Q4:1.17.0.2
	pkgsrc-2025Q4-base:1.17
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	pkgsrc-2008Q1-base:1.1.1.1
	pkgsrc-base:1.1.1.1
	TNF:1.1.1;
locks; strict;
comment	@# @;


1.18
date	2026.01.10.07.50.12;	author wiz;	state Exp;
branches;
next	1.17;
commitid	sTKEe74wVbhBQOpG;

1.17
date	2025.10.09.07.57.24;	author wiz;	state Exp;
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1.16
date	2025.07.03.19.18.02;	author wiz;	state Exp;
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1.15
date	2024.10.14.06.45.31;	author wiz;	state Exp;
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1.14
date	2023.12.15.13.50.36;	author wiz;	state Exp;
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1.13
date	2023.08.14.05.23.51;	author wiz;	state Exp;
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1.12
date	2023.08.01.23.20.38;	author wiz;	state Exp;
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1.11
date	2023.07.01.08.37.33;	author wiz;	state Exp;
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1.10
date	2023.06.22.12.08.24;	author bacon;	state Exp;
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1.9
date	2015.12.26.22.36.07;	author dholland;	state Exp;
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1.8
date	2015.06.27.07.08.13;	author dholland;	state Exp;
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1.7
date	2012.09.11.20.32.13;	author asau;	state Exp;
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1.6
date	2010.07.30.10.36.23;	author asau;	state Exp;
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1.5
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1.4
date	2009.12.03.13.06.52;	author asau;	state Exp;
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1.3
date	2009.02.17.13.02.20;	author joerg;	state Exp;
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1.2
date	2008.05.26.02.13.16;	author joerg;	state Exp;
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1.1
date	2008.03.09.17.52.57;	author tnn;	state Exp;
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	1.1.1.1;
next	;

1.1.1.1
date	2008.03.09.17.52.57;	author tnn;	state Exp;
branches;
next	;


desc
@@


1.18
log
@mopac: switch to https
@
text
@# $NetBSD: Makefile,v 1.17 2025/10/09 07:57:24 wiz Exp $

DISTNAME=	mopac-22.0.6
PKGREVISION=	1
CATEGORIES=	biology
MASTER_SITES=	${MASTER_SITE_GITHUB:=openmopac/}
GITHUB_TAG=	v${PKGVERSION_NOREV}

MAINTAINER=	pkgsrc-users@@NetBSD.org
HOMEPAGE=	https://openmopac.net/
COMMENT=	Semi-empirical (MNDO, etc.) molecular orbital calculation
LICENSE=	gnu-gpl-v3

USE_LANGUAGES=	c fortran

PYTHON_VERSIONS_INCOMPATIBLE=	310

.include "../../mk/blas.buildlink3.mk"
.include "../../devel/cmake/build.mk"
.include "../../math/py-numpy/buildlink3.mk"
.include "../../lang/python/application.mk"
.include "../../mk/bsd.pkg.mk"
@


1.17
log
@*: remove reference to (removed) Python 3.9
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.16 2025/07/03 19:18:02 wiz Exp $
d10 1
a10 1
HOMEPAGE=	http://openmopac.net/
@


1.16
log
@*: py-numpy needs Python >= 3.11 now
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.15 2024/10/14 06:45:31 wiz Exp $
d16 1
a16 1
PYTHON_VERSIONS_INCOMPATIBLE=	39 310
@


1.15
log
@*: clean-up after python38 removal
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.14 2023/12/15 13:50:36 wiz Exp $
d16 2
@


1.14
log
@mopac: pkgsrc-users can't be OWNER, make it MAINTAINER
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.13 2023/08/14 05:23:51 wiz Exp $
a15 2
PYTHON_VERSIONS_INCOMPATIBLE=	27 38

@


1.13
log
@*: recursive bump for Python 3.11 as new default
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.12 2023/08/01 23:20:38 wiz Exp $
d9 1
a9 1
OWNER=		pkgsrc-users@@NetBSD.org
@


1.12
log
@*: remove more references to Python 3.7
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.11 2023/07/01 08:37:33 wiz Exp $
d4 1
@


1.11
log
@*: restrict py-numpy users to 3.9+ in preparation for update
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.10 2023/06/22 12:08:24 bacon Exp $
d15 1
a15 1
PYTHON_VERSIONS_INCOMPATIBLE=	27 37 38
@


1.10
log
@biology/mopac: Switch from mopac7 to latest openmopac

Unbreaks build on multiple platforms
Derived from FreeBSD port using wip/fbsd2pkg
@
text
@d1 1
a1 1
# $NetBSD$
d15 2
@


1.9
log
@Fix build.

1. Compile C code with the C compiler, not the fortran compiler.
2. Use f2c, not g95, as the fortran compiler.

XXX  This package builds only with f2c, not g95.
XXX  There does not appear to be any way to specify this other
XXX  than by abusively setting PKGSRC_FORTRAN. So do that for now.
@
text
@d1 1
a1 2
# $NetBSD: Makefile,v 1.8 2015/06/27 07:08:13 dholland Exp $
#
d3 16
a18 41
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=		c fortran77

INSTALLATION_DIRS=	bin share/mopac7/sample

# XXX  This package builds only with f2c, not g95.
# XXX  There does not appear to be any way to specify this other
# XXX  than by abusively setting PKGSRC_FORTRAN.
PKGSRC_FORTRAN=		f2c

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

.include "../../devel/libf2c/buildlink3.mk"
@


1.8
log
@Pass -freal-loops if the compiler is clang or gcc. This does not fix
the build, but it gets further now.
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.7 2012/09/11 20:32:13 asau Exp $
d23 1
a23 2
USE_LANGUAGES=		fortran77
PKG_FC=			f2c-f77
d27 4
a30 4
.include "../../mk/compiler.mk"
.if !empty(PKGSRC_COMPILER:Mclang) || !empty(PKGSRC_COMPILER:Mgcc)
ALL_ENV+=	PKGSRC_FFLAGS=-freal-loops
.endif
a43 2
# "g77" can not be used for external function

@


1.7
log
@"user-destdir" is default these days
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.6 2010/07/30 10:36:23 asau Exp $
d28 5
@


1.6
log
@"fortran" -> "fortran77" except where it is clear that it isn't F77.
"fortran" is alias of "fortran77" for now, but it will change later.
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.5 2009/12/03 19:01:05 asau Exp $
a19 2
PKG_DESTDIR_SUPPORT=	user-destdir

@


1.5
log
@libf2c did split
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.4 2009/12/03 13:06:52 asau Exp $
d25 1
a25 1
USE_LANGUAGES=		fortran
@


1.4
log
@Follow f2c/libf2c split: bump revision of all packages
that list Fortran in used languages.
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.3 2009/02/17 13:02:20 joerg Exp $
d44 1
a44 1
.include "../../lang/f2c/buildlink3.mk"
@


1.3
log
@Reset maintainer, mail bounced
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.2 2008/05/26 02:13:16 joerg Exp $
d6 1
@


1.2
log
@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.
@
text
@d1 1
a1 1
# $NetBSD: Makefile,v 1.1.1.1 2008/03/09 17:52:57 tnn Exp $
d15 1
a15 1
MAINTAINER=		oishi@@ims.ac.jp
@


1.1
log
@Initial revision
@
text
@d1 1
a1 1
# $NetBSD$
d23 1
a23 1
USE_TOOLS+=		gmake
d37 1
a37 1
	cd ${WRKSRC} && ${PAX} -wr test_* \
d39 1
a39 1
	cd ${WRKDIR} && ${PAX} -wr mopac7-man ${DESTDIR}${PREFIX}/share/mopac7
@


1.1.1.1
log
@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.
@
text
@@