mopac7-1.15-r1.ebuild
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# Copyright 1999-2023 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=8 inherit autotools fortran-2 flag-o-matic toolchain-funcs DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package" HOMEPAGE="https://sourceforge.net/projects/mopac7/" SRC_URI=" http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f" LICENSE="public-domain" SLOT="0" KEYWORDS="amd64 ~ppc ~x86 ~amd64-linux" IUSE="gmxmopac7" DEPEND="dev-libs/libf2c" RDEPEND="${DEPEND}" src_prepare() { default # 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 append-fflags -std=legacy -fno-automatic } src_configure() { econf --disable-static } src_compile() { emake if use gmxmopac7; then einfo "Making mopac7 lib for gromacs" mkdir "${S}"/fortran/libgmxmopac7 || die cd "${S}"/fortran/libgmxmopac7 || die cp -n ../SIZES ../*.f "${FILESDIR}"/Makefile . || die emake clean cp -n "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die sed "s:GENTOOVERSION:${PV}:g" -i Makefile || die emake FC="$(tc-getFC)" fi } src_install() { # A correct fix would have a run_mopac7.in with @bindir@ that gets # replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7 || die default if use gmxmopac7; then cd "${S}"/fortran/libgmxmopac7 || die dolib.so libgmxmopac7.so* fi find "${ED}" -name '*.la' -delete || die } | ||