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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
+}