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markusle 09/11/03 05:40:26 |
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|
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Modified: ChangeLog |
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Added: pdb2pqr-1.5.0.ebuild |
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Removed: pdb2pqr-1.1.2.ebuild pdb2pqr-1.2.1.ebuild |
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Log: |
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Version bump and removed old ebuilds. |
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(Portage version: 2.1.7.3/cvs/Linux x86_64) |
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|
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Revision Changes Path |
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1.19 sci-chemistry/pdb2pqr/ChangeLog |
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|
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file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.19&view=markup |
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plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.19&content-type=text/plain |
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diff : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?r1=1.18&r2=1.19 |
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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/pdb2pqr/ChangeLog,v |
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retrieving revision 1.18 |
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retrieving revision 1.19 |
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diff -u -r1.18 -r1.19 |
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--- ChangeLog 24 Sep 2009 23:43:11 -0000 1.18 |
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+++ ChangeLog 3 Nov 2009 05:40:25 -0000 1.19 |
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@@ -1,6 +1,14 @@ |
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# ChangeLog for sci-chemistry/pdb2pqr |
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# Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2 |
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-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.18 2009/09/24 23:43:11 markusle Exp $ |
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+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.19 2009/11/03 05:40:25 markusle Exp $ |
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+ |
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+*pdb2pqr-1.5.0 (03 Nov 2009) |
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+ |
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+ 03 Nov 2009; Markus Dittrich <markusle@g.o> -pdb2pqr-1.1.2.ebuild, |
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+ -files/pdb2pqr-1.1.2-fpic-gentoo.patch, -files/pdb2pqr-gcc4-gentoo.patch, |
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+ -files/pdb2pqr-1.1.2-gcc4-gentoo.patch, -pdb2pqr-1.2.1.ebuild, |
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+ -files/pdb2pqr-propka-gentoo.patch, +pdb2pqr-1.5.0.ebuild: |
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+ Version bump and removed old ebuilds. |
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|
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24 Sep 2009; Markus Dittrich <markusle@g.o> |
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pdb2pqr-1.4.0-r1.ebuild, files/pdb2pqr-1.4.0-automagic.patch: |
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|
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|
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1.1 sci-chemistry/pdb2pqr/pdb2pqr-1.5.0.ebuild |
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|
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file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.5.0.ebuild?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.5.0.ebuild?rev=1.1&content-type=text/plain |
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|
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Index: pdb2pqr-1.5.0.ebuild |
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=================================================================== |
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# Copyright 1999-2009 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/pdb2pqr/pdb2pqr-1.5.0.ebuild,v 1.1 2009/11/03 05:40:25 markusle Exp $ |
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|
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inherit eutils fortran multilib flag-o-matic distutils python versionator |
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|
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MY_PV=$(get_version_component_range 1-2) |
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MY_P="${PN}-${MY_PV}" |
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|
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DESCRIPTION="An automated pipeline for performing Poisson-Boltzmann electrostatics calculations" |
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LICENSE="BSD" |
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HOMEPAGE="http://pdb2pqr.sourceforge.net/" |
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SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz" |
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|
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SLOT="0" |
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IUSE="doc examples opal" |
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KEYWORDS="~amd64 ~x86" |
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|
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DEPEND="dev-lang/python |
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dev-python/numpy |
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opal? ( dev-python/zsi )" |
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RDEPEND="${DEPEND}" |
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|
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FORTRAN="g77 gfortran" |
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|
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S="${WORKDIR}/${MY_P}" |
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|
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src_unpack() { |
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unpack ${A} |
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cd "${S}" |
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epatch "${FILESDIR}"/${PN}-1.4.0-ldflags.patch |
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epatch "${FILESDIR}"/${PN}-1.4.0-automagic.patch |
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epatch "${FILESDIR}"/${PN}-1.4.0-install.patch |
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sed '50,200s:CWD:DESTDIR:g' -i Makefile.am \ |
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|| die "Failed to fix Makefile.am" |
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eautoreconf |
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} |
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|
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src_compile() { |
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# we need to compile the *.so as pic |
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append-flags -fPIC |
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FFLAGS="${FFLAGS} -fPIC" |
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|
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# Avoid automagic to numeric |
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NUMPY="$(python_get_sitedir)" \ |
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F77="${FORTRANC}" \ |
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econf \ |
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$(use_with opal) || \ |
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die "econf failed" |
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emake || die "emake failed" |
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} |
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|
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src_test() { |
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emake -j1 test && \ |
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F77="${FORTRANC}" emake -j1 adv-test \ |
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|| die "tests failed" |
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} |
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|
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src_install() { |
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dodir $(python_get_sitedir)/${PN} |
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emake -j1 DESTDIR="${D}$(python_get_sitedir)/${PN}" \ |
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PREFIX="" install || die "install failed" |
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|
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if use doc; then |
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cd doc |
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sh genpydoc.sh \ |
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|| die "genpydoc failed" |
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dohtml -r *.html images pydoc \ |
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|| die "failed to install html docs" |
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cd - |
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fi |
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|
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if use examples; then |
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insinto /usr/share/${PN}/ |
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doins -r examples || die "Failed to install examples." |
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fi |
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|
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INPATH="$(python_get_sitedir)/${PN}" |
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|
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# generate pdb2pqr wrapper |
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cat >> "${T}"/${PN} <<-EOF |
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#!/bin/sh |
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${python} ${INPATH}/${PN}.py \$* |
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EOF |
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|
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exeinto /usr/bin |
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doexe "${T}"/${PN} || die "Failed to install pdb2pqr wrapper." |
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|
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dodoc ChangeLog NEWS README AUTHORS || \ |
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die "Failed to install docs" |
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|
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insinto "${INPATH}" |
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doins __init__.py || \ |
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die "Setting up the pdb2pqr site-package failed." |
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|
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exeinto "${INPATH}" |
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doexe ${PN}.py || die "Installing pdb2pqr failed." |
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|
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insinto "${INPATH}"/dat |
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doins dat/* || die "Installing data failed." |
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|
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exeinto "${INPATH}"/extensions |
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doexe extensions/* || \ |
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die "Failed to install extensions." |
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|
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insinto "${INPATH}"/src |
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doins src/*.py || die "Installing of python scripts failed." |
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|
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exeinto "${INPATH}"/propka |
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doexe propka/_propkalib.so || \ |
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die "Failed to install propka." |
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|
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insinto "${INPATH}"/propka |
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doins propka/propkalib.py propka/__init__.py || \ |
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die "Failed to install propka." |
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|
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insinto "${INPATH}"/pdb2pka |
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doins pdb2pka/*.{py,so,DAT,h} || \ |
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die "Failed to install pdb2pka." |
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|
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insinto "${INPATH}"/pdb2pka/ |
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doins pdb2pka/*.{py,so,DAT,h} || \ |
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die "Failed to install pdb2pka." |
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} |