New library, used to evaluate integrals over Cartesian Gaussian functions. Useful in quantum chemistry. Is autodetected by sci-chemistry/mpqc now and used for very advanced methods, but hopefully will be able to fix that behavior soon.

(Portage version: 2.0.53)

1 files changed, 39 insertions, 0 deletions

diff --git a/sci-libs/libint/libint-1.1.2.ebuild b/sci-libs/libint/libint-1.1.2.ebuild
new file mode 100644
index 000000000000..0a97feb6e381
--- /dev/null
+++ b/sci-libs/libint/libint-1.1.2.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-libs/libint/libint-1.1.2.ebuild,v 1.1 2005/12/06 12:01:36 spyderous Exp $
+
+inherit eutils
+
+DESCRIPTION="Used to evaluate traditional and novel two-body matrix elements (integrals) over Cartesian Gaussian functions"
+HOMEPAGE="http://www.ccmst.gatech.edu/evaleev/libint/"
+SRC_URI="http://www.ccmst.gatech.edu/evaleev/libint/src/${P}.tar.gz"
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~x86"
+IUSE=""
+RDEPEND=""
+DEPEND="${RDEPEND}"
+
+src_unpack() {
+	unpack ${A}
+	epatch ${FILESDIR}/dont-append-mcpu.patch
+}
+
+src_compile() {
+	sed -i \
+		-e "s:^COPTIONS_OPT=.*:COPTIONS_OPT=\"${CFLAGS}\":g" \
+		-e "s:^CXXOPTIONS_OPT=.*:CXXOPTIONS_OPT=\"${CXXFLAGS}\":g" \
+		${S}/configure
+
+	econf \
+		--enable-shared \
+		--enable-deriv \
+		--enable-r12 \
+		|| die "econf failed"
+	emake || die "emake failed"
+}
+
+src_install() {
+	#make DESTDIR=${D} install || die
+	einstall || die
+}