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author | Donnie Berkholz <dberkholz@gentoo.org> | 2008-07-07 07:17:30 +0000 |
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committer | Donnie Berkholz <dberkholz@gentoo.org> | 2008-07-07 07:17:30 +0000 |
commit | 1074f65058d126d449810745654fed9befa741b7 (patch) | |
tree | f592617fbcd57f089e4fa96b6db85716712e7918 /sci-chemistry/psi | |
parent | Remove old versions. (diff) | |
download | gentoo-2-1074f65058d126d449810745654fed9befa741b7.tar.gz gentoo-2-1074f65058d126d449810745654fed9befa741b7.tar.bz2 gentoo-2-1074f65058d126d449810745654fed9befa741b7.zip |
(#202980) Bump. Add a gcc-4.3 patch, pull in the latest libint, keyword ~amd64, add src_test() to call the test suite.
(Portage version: 2.2_rc1/cvs/Linux 2.6.26-rc8 x86_64)
Diffstat (limited to 'sci-chemistry/psi')
-rw-r--r-- | sci-chemistry/psi/ChangeLog | 11 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.3.0-gcc-4.3.patch | 14 | ||||
-rw-r--r-- | sci-chemistry/psi/psi-3.3.0.ebuild | 55 |
3 files changed, 78 insertions, 2 deletions
diff --git a/sci-chemistry/psi/ChangeLog b/sci-chemistry/psi/ChangeLog index 99f3f5bf1ee1..fca6decd5215 100644 --- a/sci-chemistry/psi/ChangeLog +++ b/sci-chemistry/psi/ChangeLog @@ -1,6 +1,13 @@ # ChangeLog for sci-chemistry/psi -# Copyright 1999-2007 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/psi/ChangeLog,v 1.6 2007/02/22 01:28:40 jokey Exp $ +# Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/psi/ChangeLog,v 1.7 2008/07/07 07:17:30 dberkholz Exp $ + +*psi-3.3.0 (07 Jul 2008) + + 07 Jul 2008; Donnie Berkholz <dberkholz@gentoo.org>; + +files/3.3.0-gcc-4.3.patch, +psi-3.3.0.ebuild: + (#202980) Bump. Add a gcc-4.3 patch, pull in the latest libint, keyword + ~amd64, add src_test() to call the test suite. 22 Feb 2007; Markus Ullmann <jokey@gentoo.org> ChangeLog: Redigest for Manifest2 diff --git a/sci-chemistry/psi/files/3.3.0-gcc-4.3.patch b/sci-chemistry/psi/files/3.3.0-gcc-4.3.patch new file mode 100644 index 000000000000..1eed612978a1 --- /dev/null +++ b/sci-chemistry/psi/files/3.3.0-gcc-4.3.patch @@ -0,0 +1,14 @@ +--- psi3.orig/src/bin/intder/params.cc 2008-07-06 23:46:56.000000000 -0700 ++++ psi3/src/bin/intder/params.cc 2008-07-06 23:48:41.000000000 -0700 +@@ -1,3 +1,4 @@ ++#include <cstring> + #include "params.h" + #include "displacements.h" + #include "intco.h" +--- psi3.orig/src/bin/intder/read_geom.cc 2008-07-06 23:46:56.000000000 -0700 ++++ psi3/src/bin/intder/read_geom.cc 2008-07-06 23:48:56.000000000 -0700 +@@ -1,3 +1,4 @@ ++#include <cstring> + #include <stdio.h> + #include <stdlib.h> + #include "displacements.h" diff --git a/sci-chemistry/psi/psi-3.3.0.ebuild b/sci-chemistry/psi/psi-3.3.0.ebuild new file mode 100644 index 000000000000..4cebec936968 --- /dev/null +++ b/sci-chemistry/psi/psi-3.3.0.ebuild @@ -0,0 +1,55 @@ +# Copyright 1999-2008 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/psi/psi-3.3.0.ebuild,v 1.1 2008/07/07 07:17:30 dberkholz Exp $ + +inherit autotools eutils + +DESCRIPTION="Suite of ab initio quantum chemistry programs to compute various molecular properties" +HOMEPAGE="http://www.psicode.org/" +SRC_URI="mirror://sourceforge/psicode/${P}.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="" + +RDEPEND="virtual/blas + virtual/lapack + >=sci-libs/libint-1.1.4" +DEPEND="${RDEPEND} + test? ( dev-lang/perl )" + +S="${WORKDIR}/${PN}${PV:0:1}" + +src_unpack() { + unpack ${A} + cd "${S}" + epatch "${FILESDIR}"/dont-build-libint.patch + epatch "${FILESDIR}"/use-external-libint.patch + epatch "${FILESDIR}"/${PV}-gcc-4.3.patch + eautoreconf +} + +src_compile() { + # This variable gets set sometimes to /usr/lib/src and breaks stuff + unset CLIBS + + econf \ + --with-opt="${CFLAGS}" \ + --datadir=/usr/share/${PN} \ + || die "configure failed" + emake \ + SCRATCH="${WORKDIR}/libint" \ + || die "make failed" +} + +src_test() { + emake tests || die +} + +src_install() { + einstall \ + datadir=${D}/usr/share/${PN} \ + docdir=${D}/usr/share/doc/${PF} \ + || die "install failed" +} |