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openbsd-ports/misc/openbabel/Makefile

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openbabel-2.2.2: major bugfix release and a stable upgrade It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
2009-07-13 05:40:02 -04:00
# $OpenBSD: Makefile,v 1.7 2009/07/13 09:40:02 ajacoutot Exp $
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
- update to version 2.1.1 (fixes for several important crashes)
2007-07-08 13:50:48 -04:00
COMMENT= chemistry file translation program
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
openbabel-2.2.2: major bugfix release and a stable upgrade It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
2009-07-13 05:40:02 -04:00
V= 2.2.2
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
DISTNAME= openbabel-${V}
CATEGORIES= misc
openbabel-2.2.2: major bugfix release and a stable upgrade It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
2009-07-13 05:40:02 -04:00
SUBST_VARS= V
SHARED_LIBS+= openbabel 5.0 # .3.0
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
HOMEPAGE= http://openbabel.sourceforge.net/
MAINTAINER= Antoine Jacoutot <ajacoutot@openbsd.org>
# GPLv2
PERMIT_PACKAGE_CDROM= Yes
PERMIT_PACKAGE_FTP= Yes
PERMIT_DISTFILES_CDROM= Yes
PERMIT_DISTFILES_FTP= Yes
MASTER_SITES= ${MASTER_SITE_SOURCEFORGE:=openbabel/}
openbabel-2.2.2: major bugfix release and a stable upgrade It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
2009-07-13 05:40:02 -04:00
WANTLIB= c m stdc++ z
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
openbabel-2.2.2: major bugfix release and a stable upgrade It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
2009-07-13 05:40:02 -04:00
MODULES= converters/libiconv
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
Pull in a patch from the openbabel source repo to remove the unconditional use of __builtin_popcount if using GCC. Eliminates the need for a newer GCC version. ok ajacoutot@
2008-09-01 04:51:03 -04:00
BUILD_DEPENDS= ::devel/boost
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
LIB_DEPENDS= xml2.>=9::textproc/libxml
REGRESS_DEPENDS=::misc/openbabel
USE_LIBTOOL= Yes
CONFIGURE_STYLE=gnu
CONFIGURE_ENV= CPPFLAGS="-I${LOCALBASE}/include" \
- update to version 2.1.1 (fixes for several important crashes)
2007-07-08 13:50:48 -04:00
LDFLAGS="-L${LOCALBASE}/lib" \
ac_cv_path_DOXYGEN=""
- update to openbabel-2.2.0 - gcc4 is needed to build this now * improved force fields and coordinate generation, conformer searching, enhanced plugins including molecular descriptors, filters, and command-line transformations * many formats improved or added, including CIF, mmCIF, Gaussian cube, PQR, OpenDX cubes, and more * improved developer API and scripting support * many, many bugfixes
2008-08-20 12:08:11 -04:00
CONFIGURE_ARGS= ${CONFIGURE_SHARED} \
--disable-inchi \
Pull in a patch from the openbabel source repo to remove the unconditional use of __builtin_popcount if using GCC. Eliminates the need for a newer GCC version. ok ajacoutot@
2008-09-01 04:51:03 -04:00
--disable-wx-gui \
--with-boost=${LOCALBASE}
Import openbabel-2.1.0b4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. [...] ok steven@
2007-01-22 11:32:41 -05:00
.include <bsd.port.mk>
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