| # Copyright 1999-2014 Gentoo Foundation |
| # Distributed under the terms of the GNU General Public License v2 |
| # $Id$ |
| |
| 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/${P}.tar.gz |
| http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f |
| http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f" |
| |
| LICENSE="public-domain" |
| SLOT="0" |
| KEYWORDS="amd64 ppc x86 ~amd64-linux" |
| IUSE="gmxmopac7 static-libs" |
| |
| DEPEND="dev-libs/libf2c" |
| RDEPEND="${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 |
| } |
