69 lines
1.8 KiB
Bash
69 lines
1.8 KiB
Bash
# Copyright 1999-2020 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=5
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inherit autotools fortran-2 flag-o-matic toolchain-funcs
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DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package"
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HOMEPAGE="https://sourceforge.net/projects/mopac7/"
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SRC_URI="
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http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz
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http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f
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http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f"
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LICENSE="public-domain"
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SLOT="0"
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KEYWORDS="amd64 ppc x86 ~amd64-linux"
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IUSE="gmxmopac7"
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DEPEND="dev-libs/libf2c"
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RDEPEND="${DEPEND}"
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src_prepare() {
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# Install the executable
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sed -i \
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-e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \
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fortran/Makefile.am \
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|| die "sed failed: install mopac7"
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# Install the script to run the executable
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sed -i \
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-e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \
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Makefile.am \
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|| die "sed failed: install run_mopac7"
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eautoreconf
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append-fflags -std=legacy -fno-automatic
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}
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src_configure() {
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econf --disable-static
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}
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src_compile() {
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emake
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if use gmxmopac7; then
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einfo "Making mopac7 lib for gromacs"
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mkdir "${S}"/fortran/libgmxmopac7 && cd "${S}"/fortran/libgmxmopac7
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cp -f ../SIZES ../*.f "${FILESDIR}"/Makefile . || die
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emake clean
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cp -f "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die
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sed "s:GENTOOVERSION:${PV}:g" -i Makefile
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emake FC=$(tc-getFC)
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fi
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}
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src_install() {
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# A correct fix would have a run_mopac7.in with @bindir@ that gets
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# replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac
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sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7 || die
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default
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if use gmxmopac7; then
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cd "${S}"/fortran/libgmxmopac7
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dolib.so libgmxmopac7.so*
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fi
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find "${ED}" -name '*.la' -delete || die
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}
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