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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/psi/psi-3.4.0-r2.ebuild
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proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/psi/psi-3.4.0-r2.ebuild')
-rw-r--r--sci-chemistry/psi/psi-3.4.0-r2.ebuild81
1 files changed, 81 insertions, 0 deletions
diff --git a/sci-chemistry/psi/psi-3.4.0-r2.ebuild b/sci-chemistry/psi/psi-3.4.0-r2.ebuild
new file mode 100644
index 000000000000..9a42b877dc16
--- /dev/null
+++ b/sci-chemistry/psi/psi-3.4.0-r2.ebuild
@@ -0,0 +1,81 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=4
+
+inherit autotools-utils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="Suite of ab initio quantum chemistry programs to compute various molecular properties"
+HOMEPAGE="http://www.psicode.org/"
+SRC_URI="mirror://sourceforge/psicode/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 x86"
+IUSE="static-libs test"
+
+RDEPEND="
+ !sci-visualization/extrema
+ virtual/blas
+ virtual/lapack
+ >=sci-libs/libint-1.1.4"
+DEPEND="${RDEPEND}
+ virtual/pkgconfig
+ test? ( dev-lang/perl )"
+
+S="${WORKDIR}/${PN}${PV:0:1}"
+
+PATCHES=(
+ "${FILESDIR}"/${PV}-dont-build-libint.patch
+ "${FILESDIR}"/use-external-libint.patch
+ "${FILESDIR}"/${PV}-gcc-4.3.patch
+ "${FILESDIR}"/${PV}-destdir.patch
+ "${FILESDIR}"/${P}-parallel-make.patch
+ "${FILESDIR}"/${PV}-man_paths.patch
+ "${FILESDIR}"/${PV}-ldflags.patch
+ "${FILESDIR}"/${PV}-parallel_fix.patch
+ "${FILESDIR}"/${PV}-fortify.patch
+ )
+
+src_prepare() {
+ autotools-utils_src_prepare
+ # Broken test
+ sed \
+ -e 's:scf-mvd-opt ::g' \
+ -e 's:scf-mvd-opt-puream ::g' \
+ -i tests/Makefile.in || die
+
+ sed \
+ -e "/LIBPATTERNS/d" \
+ -i src/{bin,util,samples}/MakeVars.in || die
+ eautoreconf
+}
+
+src_configure() {
+ # This variable gets set sometimes to /usr/lib/src and breaks stuff
+ unset CLIBS
+
+ local myeconfargs=(
+ --with-opt="${CXXFLAGS}"
+ --datadir="${EPREFIX}"/usr/share/${PN}
+ --with-blas="$($(tc-getPKG_CONFIG) blas --libs)"
+ --with-lapack="$($(tc-getPKG_CONFIG) --libs lapack)"
+ )
+ autotools-utils_src_configure
+}
+
+src_compile() {
+ autotools-utils_src_compile SCRATCH="${WORKDIR}/libint" DODEPEND="no"
+}
+
+src_test() {
+ emake EXECDIR="${S}"/bin TESTFLAGS="" -j1 tests
+}
+
+src_install() {
+ autotools-utils_src_install DODEPEND="no"
+ if ! use static-libs; then
+ rm -f "${ED}"/usr/$(get_libdir)/*.a || die
+ fi
+}