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Gentoo's Bugzilla – Attachment 103874 Details for
Bug 118421
gromacs-3.3-r1.ebuild (Update)
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gromacs-3.3.1-r1.ebuild
gromacs-3.3.1-r1.ebuild (text/plain), 4.68 KB, created by
Jeffrey Gardner (RETIRED)
on 2006-12-12 09:48:22 UTC
(
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Description:
gromacs-3.3.1-r1.ebuild
Filename:
MIME Type:
Creator:
Jeffrey Gardner (RETIRED)
Created:
2006-12-12 09:48:22 UTC
Size:
4.68 KB
patch
obsolete
># Copyright 1999-2006 Gentoo Foundation ># Distributed under the terms of the GNU General Public License v2 ># $Header: $ > >inherit eutils fortran multilib > >IUSE="3dnow X altivec double-precision mopac7 mpi sse sse2" > >DESCRIPTION="The ultimate molecular dynamics simulation package" >SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" >HOMEPAGE="http://www.gromacs.org/" > >LICENSE="GPL-2" >SLOT="0" >KEYWORDS="~x86 ~amd64 ~sparc ~ppc64" > >DEPEND=">=sci-libs/fftw-3.0.1 > mpi? ( >=sys-cluster/lam-mpi-7.0.6 ) > >=sys-devel/binutils-2.12* > app-shells/tcsh > X? ( x11-libs/lesstif > virtual/x11 ) > mopac7? ( sci-chemistry/mopac7 ) > sparc? ( =sys-devel/gcc-3* )" >pkg_setup() { > # !!!Please note!!! > # for troublesome work gromacs should be compiled with the same mpi setting > # as fftw. > if use mpi; then > if ! built_with_use =sci-libs/fftw-3* mpi; then > die "=sci-libs/fftw-3* must be built with USE=mpi." > fi > fi > >} > >src_unpack() { > > unpack ${A} > if use ppc64 && use altivec ; then > epatch "${FILESDIR}"/${PN}-ppc64-altivec.patch > fi > cd "${S}" > ># Fix a typo in a couple of files. > sed -e "s:_nb_kerne010_x86_64_sse2:_nb_kernel010_x86_64_sse2:" \ > -i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.intel_syntax.s \ > -i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.s \ > || die "Failed to fix sse2 typo." > ># 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" > > cd "${WORKDIR}" && mv ${P} ${P}-single ; > > use double-precision && cp -prP ${P}-single ${P}-double ; > > if use mpi ; then > cp -prP ${P}-single ${P}-single-mpi > use double-precision && cp -prP ${P}-double ${P}-double-mpi > fi >} > >src_compile() { > # static should work but something's broken. > # gcc spec file may be screwed up. > # Static linking should try -lgcc instead of -lgcc_s. > # For more info: > # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html > ># We will compile single precision by default, and suffix double-precision with _d. ># Sparc is the only arch I can test on that needs to use fortran. >local myconf ; > >case "${ARCH}" in > > x86) > myconf="$myconf $(use_enable sse ia32-sse)" > myconf="$myconf $(use_enable sse2 ia32-sse)" > myconf="$myconf $(use_enable 3dnow ia32-3dnow)" > ;; > > amd64) > myconf="$myconf --enable-x86-64-sse" > ;; > > ppc) > if use altivec ; then > myconf="$myconf --enable-ppc-altivec --disable-fortran" > else > myconf="$myconf --enable-fortran" && fortran_pkg_setup > fi > ;; > > ppc64) > if use altivec ; then > myconf="$myconf --enable-ppc-altivec --disable-fortran" > else > myconf="$myconf --enable-fortran" && fortran_pkg_setup > fi > ;; > > sparc) > myconf="$myconf --enable-fortran" && fortran_pkg_setup > ;; > > ia64) > myconf="$myconf --enable-ia64-asm" > ;; > > alpha) > myconf="$myconf --enable-axp-asm" > ;; > >esac > >myconf="--enable-shared \ > --datadir=/usr/share \ > --bindir=/usr/bin \ > --libdir=/usr/$(get_libdir) \ > --with-fft=fftw3 \ > $(use_with X x) \ > $(use_enable mopac7) \ > ${myconf}" > >cd "${WORKDIR}"/${P}-single > econf ${myconf} --enable-float || die "configure single-precision failed" > > emake || die "emake single failed" > > if use mpi ; then > cd "${WORKDIR}"/${P}-single-mpi > econf ${myconf} --enable-float --enable-mpi --program-suffix=_mpi \ > || die "failed to configure single-mpi mdrun" > emake mdrun || die "failed to make single-precision mpi mdrun" ; > fi > > if use double-precision ; then > cd "${WORKDIR}"/${P}-double > > econf ${myconf} --enable-double --program-suffix=_d \ > || die "configure double-precision failed" > > emake || die "emake double failed" > > if use mpi ; then > cd "${WORKDIR}"/${P}-double-mpi > econf ${myconf} --enable-double --enable-mpi --program-suffix=_mpi_d \ > || die "failed to configure double-mpi mdrun" ; > > emake mdrun \ > || die "failed to make double-precision mpi mdrun" ; > fi > fi > >} > >src_install () { > cd ${WORKDIR}/${P}-single ; > emake DESTDIR=${D} install || die "installing single failed" > > if use mpi ; then > cd "${WORKDIR}"/${P}-single-mpi > emake DESTDIR=${D} install-mdrun \ > || die "installing mdrun_mpi failed" > fi > > if use double-precision ; then > cd ${WORKDIR}/${P}-double && emake DESTDIR=${D} install \ > || die "installing double failed" > > if use mpi ; then > cd "${WORKDIR}"/${P}-double-mpi > emake DESTDIR=${D} install-mdrun \ > || die "installing mdrun_mpi_d failed" > fi > > 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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