75 lines
2.1 KiB
Bash
75 lines
2.1 KiB
Bash
# Copyright 1999-2012 Gentoo Foundation
|
|
# Distributed under the terms of the GNU General Public License v2
|
|
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mopac7/mopac7-1.15.ebuild,v 1.9 2012/10/19 10:00:39 jlec Exp $
|
|
|
|
EAPI=4
|
|
|
|
inherit autotools fortran-2 toolchain-funcs
|
|
|
|
DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package"
|
|
HOMEPAGE="http://sourceforge.net/projects/mopac7/"
|
|
SRC_URI="
|
|
http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz
|
|
http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f
|
|
http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f"
|
|
|
|
SLOT="0"
|
|
LICENSE="mopac7"
|
|
KEYWORDS="amd64 ppc x86 ~amd64-linux"
|
|
IUSE="gmxmopac7 static-libs"
|
|
|
|
DEPEND="dev-libs/libf2c"
|
|
RDEPEND="${DEPEND}"
|
|
|
|
src_prepare() {
|
|
# Install the executable
|
|
sed -i \
|
|
-e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \
|
|
fortran/Makefile.am \
|
|
|| die "sed failed: install mopac7"
|
|
# Install the script to run the executable
|
|
sed -i \
|
|
-e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \
|
|
Makefile.am \
|
|
|| die "sed failed: install run_mopac7"
|
|
|
|
eautoreconf
|
|
}
|
|
|
|
src_configure() {
|
|
#set -std=legacy -fno-automatic according to
|
|
#http://www.bioinformatics.org/pipermail/ghemical-devel/2008-August/000763.html
|
|
FFLAGS="${FFLAGS} -std=legacy -fno-automatic" econf
|
|
}
|
|
|
|
src_compile() {
|
|
emake
|
|
if use gmxmopac7; then
|
|
einfo "Making mopac7 lib for gromacs"
|
|
mkdir "${S}"/fortran/libgmxmopac7 && cd "${S}"/fortran/libgmxmopac7
|
|
cp -f ../SIZES ../*.f "${FILESDIR}"/Makefile . || die
|
|
emake clean
|
|
cp -f "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die
|
|
sed "s:GENTOOVERSION:${PV}:g" -i Makefile
|
|
emake FC=$(tc-getFC)
|
|
if use static-libs; then
|
|
emake static
|
|
fi
|
|
fi
|
|
}
|
|
|
|
src_install() {
|
|
# A correct fix would have a run_mopac7.in with @bindir@ that gets
|
|
# replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac
|
|
sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7
|
|
|
|
make DESTDIR="${D}" install || die
|
|
dodoc AUTHORS README ChangeLog
|
|
if use gmxmopac7; then
|
|
cd "${S}"/fortran/libgmxmopac7
|
|
dolib.so libgmxmopac7.so*
|
|
if use static-libs; then
|
|
dolib.a libgmxmopac7.a
|
|
fi
|
|
fi
|
|
}
|