-# Copyright 1999-2013 Gentoo Foundation
+# Copyright 1999-2017 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-EAPI="3"
+EAPI=6
-inherit autotools eutils
+inherit autotools
DESCRIPTION="Chemical quantum mechanics and molecular mechanics"
HOMEPAGE="http://bioinformatics.org/ghemical/"
mpqc? (
>=sci-chemistry/mpqc-2.3.1-r1
virtual/blas
- virtual/lapack )"
+ virtual/lapack
+ )"
DEPEND="${RDEPEND}
virtual/pkgconfig"
+PATCHES=( "${FILESDIR}"/${PN}-2.98-gl.patch )
+
src_prepare() {
- epatch "${FILESDIR}"/${PN}-2.98-gl.patch
+ default
eautoreconf
}
$(use_enable mpqc) \
$(use_enable static-libs static)
}
-
-src_install() {
- emake DESTDIR="${D}" install || die "install failed"
-}
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
-<maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
-</maintainer>
-<longdescription>
+ <maintainer type="project">
+ <email>sci-chemistry@gentoo.org</email>
+ <name>Gentoo Chemistry Project</name>
+ </maintainer>
+ <longdescription>
Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models
and molecular mechanics models (there is an experimental Tripos 5.2-like force
field for organic molecules). Also a tool for reduced protein models is
included. Geometry optimization, molecular dynamics and a large set of
visualization tools are currently available.
</longdescription>
-<use>
- <flag name="mopac7">Use <pkg>sci-chemistry/mopac7</pkg> for semi-empirical
+ <use>
+ <flag name="mopac7">Use <pkg>sci-chemistry/mopac7</pkg> for semi-empirical
calculations</flag>
- <flag name="mpqc">Use <pkg>sci-chemistry/mpqc</pkg> for quantum-mechanical
+ <flag name="mpqc">Use <pkg>sci-chemistry/mpqc</pkg> for quantum-mechanical
calculations</flag>
-</use>
+ </use>
</pkgmetadata>