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Diffstat (limited to 'sci-chemistry/mopac7/mopac7-1.15.ebuild')
-rw-r--r-- | sci-chemistry/mopac7/mopac7-1.15.ebuild | 75 |
1 files changed, 75 insertions, 0 deletions
diff --git a/sci-chemistry/mopac7/mopac7-1.15.ebuild b/sci-chemistry/mopac7/mopac7-1.15.ebuild new file mode 100644 index 000000000000..167561f7ed96 --- /dev/null +++ b/sci-chemistry/mopac7/mopac7-1.15.ebuild @@ -0,0 +1,75 @@ +# 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 +} |