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Gentoo's Bugzilla – Attachment 168090 Details for
Bug 241474
sci-chemistry/gromacs-4.0 version bump
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gromacs-4.0.ebuild
gromacs-4.0.ebuild (text/plain), 6.03 KB, created by
Alexey Shvetsov
on 2008-10-11 22:40:36 UTC
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Description:
gromacs-4.0.ebuild
Filename:
MIME Type:
Creator:
Alexey Shvetsov
Created:
2008-10-11 22:40:36 UTC
Size:
6.03 KB
patch
obsolete
># Copyright 1999-2008 Gentoo Foundation ># Distributed under the terms of the GNU General Public License v2 ># $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.3.ebuild,v 1.1 2008/10/06 02:08:34 je_fro Exp $ >EAPI="1" >LIBTOOLIZE="true" >inherit autotools eutils flag-o-matic fortran multilib > >DESCRIPTION="The ultimate molecular dynamics simulation package" >HOMEPAGE="http://www.gromacs.org/" >SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" > >LICENSE="GPL-2" >SLOT="0" >KEYWORDS="~alpha ~amd64 ~ppc64 ~sparc ~x86" >IUSE="3dnow X altivec blas double-precision gsl lapack mpi +single-precision sse sse2 static xml" > ># mopac7 qm/mm is broken until we can get files from ># http://md.chem.rug.nl/~groenhof/qmmm.html ># or somewhere else... > >DEPEND=">=sci-libs/fftw-3.0.1 > app-shells/tcsh > X? ( x11-libs/libX11 > x11-libs/libXt > x11-libs/libXp > x11-libs/libXext > x11-proto/xproto > x11-libs/openmotif ) > blas? ( virtual/blas ) > gsl? ( sci-libs/gsl ) > lapack? ( virtual/lapack ) > mpi? ( virtual/mpi ) > xml? ( dev-libs/libxml2 )" > >FORTRAN="g77 gfortran ifc" > >src_unpack() { > > unpack ${A} > cd "${S}" > # Fix typos in a couple of files. > sed -e "s:+0f:-f:" -i share/tutor/gmxdemo/demo \ > || die "Failed to fixup demo script." > > # Fix a sandbox violation that occurs when re-emerging with mpi. > sed "/libdir=\"\$(libdir)\"/ a\ temp_libdir=\"${D}usr/$( get_libdir )\" ; \\\\" \ > -i src/tools/Makefile.am \ > || die "sed tools/Makefile.am failed" > > sed -e "s:\$\$libdir:\$temp_libdir:" \ > -i src/tools/Makefile.am \ > || die "sed tools/Makefile.am failed" > > sed "/libdir=\"\$(libdir)\"/ a\ temp_libdir=\"${D}usr/$( get_libdir )\" ; \\\\" \ > -i src/tools/Makefile.am \ > || die "sed tools/Makefile.am failed" > > sed -e "s:\$\$libdir:\$\$temp_libdir:" \ > -i src/tools/Makefile.am \ > || die "sed tools/Makefile.am failed" > LIBTOOLIZE=libtoolize > eautoreconf ># _elibtoolize --copy --force --install > > cd "${WORKDIR}" > mv "${P}" "${P}-single" > if ( use double-precision ) ; then > einfo "Moving sources for Multiprecision Build" > cp -prP "${P}-single" "${P}-double" > fi >} > >src_compile() { > > # static should work but something's broken. > # gcc spec file may be screwed up. > # Static linking should try -lgcc instead of -lgcc_s. > # For more info: > # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html > > # We will compile single precision by default, and suffix double-precision with _d. > # Sparc is the only arch I can test on that needs to use fortran. > local myconf ; > local myconf_s ; > local myconf_d ; > > case "${ARCH}" in > > x86) > if ( use sse || use sse2 ) ; then > myconf="${myconf} --enable-ia32-sse" > fi > myconf="$myconf $(use_enable 3dnow ia32-3dnow)" > > if ( ! use sse && ! use sse2 && ! use 3dnow ) ; then > if ! has_version "=sys-devel/gcc-3*" ; then > die "If you must run gromacs without sse (not recommended) gfortran will not work." > else > myconf="${myconf} --enable-fortran" && fortran_pkg_setup > fi > else > myconf="${myconf} --disable-fortran" > fi > ;; > > amd64) > myconf="$myconf --enable-x86-64-sse --disable-fortran" > ;; > > ppc*) > if use altivec ; then > myconf="${myconf} --enable-ppc-altivec --disable-fortran" > else > if ! has_version "=sys-devel/gcc-3*" ; then > die "If you must run gromacs without sse (not recommended) gfortran will not work." > else > myconf="${myconf} --enable-fortran" && fortran_pkg_setup > fi > fi > ;; > > ia64) > myconf="$myconf --enable-ia64-asm --disable-fortran" > ;; > > alpha) > if ! has_version "=sys-devel/gcc-3*" ; then > die "If you must run gromacs without sse (not recommended) gfortran will not work." > else > myconf="$myconf --enable-fortran" && fortran_pkg_setup > fi > ;; > > sparc) > if ! has_version "=sys-devel/gcc-3*" ; then > die "If you must run gromacs without sse (not recommended) gfortran will not work." > else > myconf="${myconf} --enable-fortran" && fortran_pkg_setup > fi > ;; > esac > > # if we need external blas > if use blas; then > export LIBS="${LIBS} -lblas" > myconf="${myconf} $(use_with blas external-blas)" > fi > > # if we need external lapack > if use lapack; then > export LIBS="${LIBS} -llapack" > myconf="${myconf} $(use_with lapack external-lapack)" > fi > > myconf="--datadir=/usr/share \ > --bindir=/usr/bin \ > --libdir=/usr/$(get_libdir) \ > --with-fft=fftw3 \ > $(use_with gsl) \ > $(use_enable mpi) \ > $(use_with X x) \ > $(use_with xml) \ > $(use_enable static all-static) \ > ${myconf}" > > if ( use double-precision && use single-precision ); then > einfo "Building Single Precison Gromacs" > cd "${WORKDIR}"/"${P}"-single > myconf_s="${myconf} --enable-float --disable-double --program-suffix=''" > econf ${myconf_s} || die "Single Precision econf failed" > emake || die "Single Precision emake failed" > > einfo "Building Double Precision Gromacs" > cd "${WORKDIR}"/"${P}"-double > myconf_d="${myconf} --enable-double --disable-float --program-suffix=_d" > econf ${myconf_d} || die "Double Precision econf failed" > emake || die "Double Precision emake failed" > > elif use double-precision ; then > einfo "Building Double Precison Gromacs" > cd "${WORKDIR}"/"${P}"-double > myconf_d="${myconf} --enable-double --disable-float --program-suffix=''" > econf ${myconf_d} || die "Double Precision econf failed" > emake || die "Double Precision emake failed" > > elif use single-precision ; then > einfo "Building Single Precison Gromacs" > cd "${WORKDIR}"/"${P}"-single > myconf_s="${myconf} --enable-float --disable-double --program-suffix=''" > econf ${myconf_s} || die "configure failed" > emake || die "Single Precision emake failed" > fi >} > >src_install() { > if use single-precision ; then > einfo "Installing Single Precision" > cd "${WORKDIR}"/"${P}"-single > emake DESTDIR="${D}" install || die "Installing Single Precision failed" > fi > > if use double-precision ; then > einfo "Installing Double Precision" > cd "${WORKDIR}"/"${P}"-double > emake DESTDIR="${D}" install || die "Installing Double Precision failed" > fi > > dodoc AUTHORS INSTALL README > # Move html and leave examples and templates under /usr/share/gromacs. > mv "${D}"/usr/share/"${PN}"/html "${D}"/usr/share/doc/"${PF}"/ >}
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bug 241474
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168090
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168134