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Gentoo's Bugzilla – Attachment 84429 Details for
Bug 118421
gromacs-3.3-r1.ebuild (Update)
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diff against gromacs-3.3.ebuild from portage
gromacs.diff (text/plain), 4.76 KB, created by
Rene Meier
on 2006-04-11 00:53:01 UTC
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Description:
diff against gromacs-3.3.ebuild from portage
Filename:
MIME Type:
Creator:
Rene Meier
Created:
2006-04-11 00:53:01 UTC
Size:
4.76 KB
patch
obsolete
>--- /usr/portage/sci-chemistry/gromacs/gromacs-3.3.ebuild 2005-10-14 02:44:11.000000000 +0200 >+++ /mnt/zeus/portageoverlay/sci-chemistry/gromacs/gromacs-3.3.1.ebuild 2006-04-11 09:28:26.000000000 +0200 >@@ -4,7 +4,7 @@ > > inherit eutils > >-IUSE="altivec mpi xml2" >+IUSE="altivec mpi 3dnow sse double-precision" > > DESCRIPTION="The ultimate molecular dynamics simulation package" > SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" >@@ -16,58 +16,115 @@ > > #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 >- app-shells/tcsh >- xml2? ( dev-libs/libxml2 )" >- >-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." >- fi >- fi >-} >+DEPEND=">=sci-libs/fftw-3 >+ mpi? ( sys-cluster/lam-mpi ) >+ app-shells/tcsh" > > src_unpack() { >- unpack ${A} >- if use ppc64 && use altivec ; then >- epatch ${FILESDIR}/${PN}-ppc64-altivec.patch >+ unpack ${A} || die "unpack failed" >+ cd ${WORKDIR} >+ mv ${P} ${P}-single >+ if use double-precision; then >+ cp -pPR ${P}-single ${P}-double >+ fi >+ if use mpi; then >+ cp -pPR ${P}-single ${P}-mpi-single >+ if use double-precision; then >+ cp -pPR ${P}-single ${P}-mpi-double >+ fi > fi > } > > src_compile() { >- # static should work but something's broken. >- # gcc spec file may be screwed up. >- # Static linking should try -lgcc instead of -lgcc_s. >- # For more info: >- # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html >- econf \ >- --enable-fortran \ >- --datadir=/usr/share/${P} \ >- --bindir=/usr/bin \ >- --libdir=/usr/lib \ >- $(use_with xml2 xml) \ >- $(use_enable mpi) \ >- $(use_enable altivec ppc-altivec) \ >- $(use_enable alpha axp-asm) || die "configure failed" >- >-# $(use_enable static all-static) \ >- >- emake || die >+ local myconf="--libdir=/usr/lib" >+ case "${ARCH}" in >+ x86) >+ echo "hier" >+ if use 3dnow; then >+ myconf="${myconf} --enable-ia32-3dnow" >+ fi >+ if use sse; then >+ myconf="${myconf} --enable-ia32-sse" >+ fi >+ ;; >+ amd64) >+ if use sse; then >+ myconf="${myconf} --enable-x86-64-sse" >+ fi >+ ;; >+ ppc64) >+ if use altivec; then >+ myconf="${myconf} --enable-ppc-altivec" >+ fi >+ ;; >+# ia64) >+# myconf="${myconf} --enable-ia64-asm" >+# ;; >+ *) >+ myconf="${myconf} --enable-fortran" >+ ;; >+ esac >+ >+ #build single precision package >+ cd ${WORKDIR}/${P}-single >+ econf ${myconf} || die "configure of single precision package failed" >+ emake || die "make of single precision package failed" >+ #build double precision package >+ #defaults to suffix _d >+ if use double-precision; then >+ cd ${WORKDIR}/${P}-double >+ econf ${myconf} \ >+ --enable-double || die "configure of double precision package failed" >+ emake || die "make of double precision package failed" >+ fi >+ #build optional mpi support for mdrun >+ #binary will be mdrun_mpi >+ if use mpi; then >+ cd ${WORKDIR}/${P}-mpi-single >+ econf ${myconf} \ >+ --enable-mpi \ >+ --program-suffix=_mpi || die "configure of mpi enabled mdrun failed" >+ emake mdrun || die "make of mpi enabled mdrun failed" >+ #build optional mpi support for double precision mdrun >+ #binary will be mdrun_mpi_d >+ if use double-precision; then >+ cd ${WORKDIR}/${P}-mpi-double >+ econf ${myconf} \ >+ --enable-mpi \ >+ --enable-double \ >+ --program-suffix=_mpi_d || die "configure of double precision mpi enabled mdrun failed" >+ emake mdrun || die "make of double precision mpi enabled mdrun failed" >+ fi >+ fi > } > > src_install () { >- make DESTDIR=${D} install || die >- >+ cd ${WORKDIR}/${P}-single >+ make DESTDIR=${D} install || die "make install of single precision package failed" > # Install documentation. > dodoc AUTHORS COPYING 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} >+ mv ${D}/usr/share/gromacs/html ${D}/usr/share/doc/${PF}/ >+ if use double-precision; then >+ cd ${WORKDIR}/${P}-double >+ make DESTDIR=${D} install || die "make install of double precision package failed" >+ fi >+ if use mpi; then >+ cd ${WORKDIR}/${P}-mpi-single >+ make DESTDIR=${D} install-mdrun || die "make install of single precision mpi enabled mdrun failed" >+ if use double-precision; then >+ cd ${WORKDIR}/${P}-double >+ make DESTDIR=${D} install-mdrun || die "make install of double precision mpi enabled mdrun failed" >+ fi >+ fi >+} >+ >+pkg_postinst() { >+ if use mpi; then >+ einfo "For parallel runs use mdrun_mpi." >+ fi >+ >+ if use double-precision; then >+ einfo "For double precision use suffix _d for executables." >+ fi > }
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