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jlec 10/12/02 22:15:39 |
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|
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Modified: ChangeLog |
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Added: tinker-6.ebuild |
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Removed: tinker-6.0.ebuild |
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Log: |
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Fixes for upstreams changes |
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|
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(Portage version: 2.2.0_alpha6/cvs/Linux x86_64) |
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|
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Revision Changes Path |
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1.28 sci-chemistry/tinker/ChangeLog |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?rev=1.28&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?rev=1.28&content-type=text/plain |
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diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?r1=1.27&r2=1.28 |
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|
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Index: ChangeLog |
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=================================================================== |
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RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v |
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retrieving revision 1.27 |
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retrieving revision 1.28 |
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diff -u -r1.27 -r1.28 |
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--- ChangeLog 2 Dec 2010 10:51:37 -0000 1.27 |
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+++ ChangeLog 2 Dec 2010 22:15:37 -0000 1.28 |
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@@ -1,6 +1,12 @@ |
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# ChangeLog for sci-chemistry/tinker |
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# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 |
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-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.27 2010/12/02 10:51:37 jlec Exp $ |
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+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.28 2010/12/02 22:15:37 jlec Exp $ |
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+ |
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+*tinker-6 (02 Dec 2010) |
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+ |
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+ 02 Dec 2010; Justin Lecher <jlec@g.o> +files/6-openmp.patch, |
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+ +tinker-6.ebuild, -tinker-6.0.ebuild: |
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+ Fixes for upstreams changes |
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|
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02 Dec 2010; Justin Lecher <jlec@g.o> tinker-5.1.09.ebuild, |
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tinker-6.0.ebuild: |
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|
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|
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|
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1.1 sci-chemistry/tinker/tinker-6.ebuild |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/tinker-6.ebuild?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/tinker-6.ebuild?rev=1.1&content-type=text/plain |
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|
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Index: tinker-6.ebuild |
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=================================================================== |
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# Copyright 1999-2010 Gentoo Foundation |
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# Distributed under the terms of the GNU General Public License v2 |
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# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-6.ebuild,v 1.1 2010/12/02 22:15:39 jlec Exp $ |
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|
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EAPI="2" |
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FORTRAN="gfortran ifc" |
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|
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inherit fortran flag-o-matic java-pkg-opt-2 toolchain-funcs |
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|
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DESCRIPTION="Molecular modeling package that includes force fields, such as AMBER and CHARMM" |
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HOMEPAGE="http://dasher.wustl.edu/tinker/" |
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SRC_URI="http://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz" |
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|
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SLOT="0" |
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LICENSE="Tinker" |
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
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IUSE="examples" |
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|
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DEPEND=">=virtual/jdk-1.6" |
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RDEPEND=" |
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>=sci-libs/fftw-3.2.2-r1[fortran,threads] |
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dev-libs/maloc |
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!dev-util/diffuse |
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>=virtual/jre-1.6" |
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RESTRICT="mirror" |
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|
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S="${WORKDIR}"/${PN}${PV}/source |
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|
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pkg_setup() { |
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fortran_pkg_setup |
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java-pkg-opt-2_pkg_setup |
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tc-has-openmp || die "Please use an openmp capable compiler like gcc[openmp]" |
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} |
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|
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src_prepare() { |
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sed 's:strip:true:g' -i ../make/Makefile |
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[[ ${FORTRANC} == "ifc" ]] || epatch "${FILESDIR}"/${PV}-openmp.patch |
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} |
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|
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src_compile() { |
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local javalib= |
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for i in $(java-config -g LDPATH | sed 's|:| |g'); do |
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[[ -f ${i}/libjvm.so ]] && javalib=${i} |
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done |
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|
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# use dummy routines in pmpb.f instead of apbs calls |
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rm pmpb.c || die |
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|
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if [[ ${FORTRANC} == "gfortran" ]]; then |
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append-flags -fopenmp |
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_omplib="-lgomp" |
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else |
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append-flags -openmp |
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_omplib="-liomp5" |
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fi |
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|
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_fftwlib="$(pkg-config --libs fftw3 fftw3_threads)" |
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|
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emake \ |
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-f ../make/Makefile \ |
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F77="${FORTRANC}" \ |
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CC="$(tc-getCC) -c" \ |
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F77FLAGS=-c \ |
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OPTFLAGS="${FFLAGS}" \ |
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LINKFLAGS="${LDFLAGS} -Wl,-rpath ${javalib}" \ |
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INCLUDEDIR="$(java-pkg_get-jni-cflags) -I${EPREFIX}/usr/include" \ |
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LIBS="-lmaloc -L${javalib} -ljvm ${_omplib} ${_fftwlib}" \ |
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all || die |
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|
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mkdir "${S}"/../bin || die |
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|
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emake \ |
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-f ../make/Makefile \ |
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BINDIR="${S}"/../bin \ |
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rename || die |
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} |
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|
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src_test() { |
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cd "${WORKDIR}"/${PN}${PV}/test/ |
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for test in *.run; do |
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einfo "Testing ${test} ..." |
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bash ${test} || die |
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done |
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} |
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|
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src_install() { |
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dobin "${WORKDIR}"/${PN}${PV}/perl/mdavg "${WORKDIR}"/${PN}${PV}/bin/* || die |
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|
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insinto /usr/share/${PN}/ |
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doins -r "${WORKDIR}"/${PN}${PV}/params || die |
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|
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dodoc \ |
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"${WORKDIR}"/${PN}${PV}/doc/{*.txt,announce/release-*,*.pdf,0README} || die |
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|
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if use examples; then |
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insinto /usr/share/${P} |
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doins -r "${WORKDIR}"/${PN}${PV}/example || die |
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|
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doins -r "${WORKDIR}"/${PN}${PV}/test || die |
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fi |
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|
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} |
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