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Gentoo's Bugzilla – Attachment 103918 Details for
Bug 118421
gromacs-3.3-r1.ebuild (Update)
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[patch]
gromacs-3.3.1.diff
gromacs-3.3.1.diff (text/plain), 6.25 KB, created by
Jeffrey Gardner (RETIRED)
on 2006-12-12 23:29:39 UTC
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Description:
gromacs-3.3.1.diff
Filename:
MIME Type:
Creator:
Jeffrey Gardner (RETIRED)
Created:
2006-12-12 23:29:39 UTC
Size:
6.25 KB
patch
obsolete
>--- gromacs-3.3.1.ebuild 2006-12-13 02:16:50.000000000 -0600 >+++ gromacs-3.3.1-r1.ebuild 2006-12-12 11:34:00.000000000 -0600 >@@ -1,10 +1,10 @@ > # Copyright 1999-2006 Gentoo Foundation > # Distributed under the terms of the GNU General Public License v2 >-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1.ebuild,v 1.1 2006/08/08 02:54:41 markusle Exp $ >+# $Header: $ > >-inherit eutils fortran >+inherit eutils fortran multilib > >-IUSE="altivec mpi xml" >+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" >@@ -12,39 +12,58 @@ > > LICENSE="GPL-2" > SLOT="0" >-KEYWORDS="~x86 ~amd64 ~ppc64" >+KEYWORDS="~x86 ~amd64 ~sparc ~ppc64" > >-# gromacs uses fortran intrinsics such as RSHIFT that >-# are currently missing from gfortran; hence we need >-# to require g77 for the time being (see bug #141672). >-FORTRAN="g77" >- >- >-#mpi is a local USE flag now >-#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) >-DEPEND="=sci-libs/fftw-2.1* >- mpi? ( >=sys-cluster/lam-mpi-6.5.6 ) >- >=sys-devel/binutils-2.10.91.0.2 >+DEPEND=">=sci-libs/fftw-3.0.1 >+ mpi? ( >=sys-cluster/lam-mpi-7.0.6 ) >+ >=sys-devel/binutils-2.12* > app-shells/tcsh >- xml? ( dev-libs/libxml2 )" >- >+ 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-2.1* mpi; then >- die "=sci-libs/fftw-2.1* must be built with USE=mpi." >+ if ! built_with_use =sci-libs/fftw-3* mpi; then >+ die "=sci-libs/fftw-3* must be built with USE=mpi." > fi > fi > >- fortran_pkg_setup > } > > src_unpack() { >+ > unpack ${A} > if use ppc64 && use altivec ; then >- epatch ${FILESDIR}/${PN}-ppc64-altivec.patch >+ 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 ${P}-double-mpi > fi > } > >@@ -54,28 +73,118 @@ > # Static linking should try -lgcc instead of -lgcc_s. > # For more info: > # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html >- econf \ >- --enable-fortran \ >- --datadir=/usr/share/${P} \ >+ >+# 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/lib \ >- $(use_with xml) \ >- $(use_enable mpi) \ >- $(use_enable altivec ppc-altivec) \ >- $(use_enable alpha axp-asm) || die "configure failed" >+ --libdir=/usr/$(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 > >-# $(use_enable static all-static) \ >+ 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 ${myconf} --enable-double --enable-mpi --program-suffix=_mpi_d \ >+ || die "failed to configure double-mpi mdrun" ; >+ >+ emake mdrun \ >+ || die "failed to make double-precision mpi mdrun" ; >+ fi >+ fi > >- emake || die > } > > src_install () { >- make DESTDIR=${D} install || die >+ 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 > >- # Install documentation. >- dodoc AUTHORS COPYING INSTALL README >+ dodoc AUTHORS INSTALL README > >- #move html docs under /usr/share/doc >- #and leave examples and templates under /usr/gromacs... >- mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF} >+ # 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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