jlec 14/10/24 10:54:05 Modified: metadata.xml ChangeLog Added: pdb2pqr-1.8.0.ebuild Log: sci-chemistry/pdb2pqr: Version Bump (Portage version: 2.2.14/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Revision Changes Path 1.7 sci-chemistry/pdb2pqr/metadata.xml file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/metadata.xml?rev=1.7&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/metadata.xml?rev=1.7&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/metadata.xml?r1=1.6&r2=1.7 Index: metadata.xml =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/metadata.xml,v retrieving revision 1.6 retrieving revision 1.7 diff -u -r1.6 -r1.7 --- metadata.xml 10 Mar 2012 14:20:09 -0000 1.6 +++ metadata.xml 24 Oct 2014 10:54:05 -0000 1.7 @@ -1,9 +1,9 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd";> <pkgmetadata> - <herd>sci-chemistry</herd> - <use> - <flag name="opal">Add web interface via opal</flag> - <flag name="pdb2pka">Install experimental pdb2pka interface</flag> - </use> + <herd>sci-chemistry</herd> + <use> + <flag name="opal">Add web interface via opal</flag> + <flag name="pdb2pka">Install experimental pdb2pka interface</flag> + </use> </pkgmetadata> 1.38 sci-chemistry/pdb2pqr/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.38&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.38&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?r1=1.37&r2=1.38 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v retrieving revision 1.37 retrieving revision 1.38 diff -u -r1.37 -r1.38 --- ChangeLog 19 Oct 2012 10:10:18 -0000 1.37 +++ ChangeLog 24 Oct 2014 10:54:05 -0000 1.38 @@ -1,6 +1,13 @@ # ChangeLog for sci-chemistry/pdb2pqr -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.37 2012/10/19 10:10:18 jlec Exp $ +# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.38 2014/10/24 10:54:05 jlec Exp $ + +*pdb2pqr-1.8.0 (24 Oct 2014) + + 24 Oct 2014; Justin Lecher <j...@gentoo.org> +pdb2pqr-1.8.0.ebuild, + +files/pdb2pqr-1.8.0-automagic.patch, +files/pdb2pqr-1.8.0-ldflags.patch, + metadata.xml: + Version Bump 19 Oct 2012; Justin Lecher <j...@gentoo.org> pdb2pqr-1.5.0-r2.ebuild, pdb2pqr-1.7.0.ebuild, pdb2pqr-1.7.0-r2.ebuild: 1.1 sci-chemistry/pdb2pqr/pdb2pqr-1.8.0.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0.ebuild?rev=1.1&content-type=text/plain Index: pdb2pqr-1.8.0.ebuild =================================================================== # Copyright 1999-2014 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0.ebuild,v 1.1 2014/10/24 10:54:05 jlec Exp $ EAPI=5 PYTHON_COMPAT=( python2_7 ) inherit autotools eutils fortran-2 flag-o-matic python-r1 toolchain-funcs versionator MY_PV=$(get_version_component_range 1-2) MY_P="${PN}-${MY_PV}" DESCRIPTION="An automated pipeline for performing Poisson-Boltzmann electrostatics calculations" LICENSE="BSD" HOMEPAGE="http://www.poissonboltzmann.org/"; SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz" SLOT="0" IUSE="doc examples opal +pdb2pka" KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux" RDEPEND=" dev-python/numpy sci-chemistry/openbabel opal? ( dev-python/zsi ) pdb2pka? ( sci-chemistry/apbs[python,-mpi] )" DEPEND="${RDEPEND}" S="${WORKDIR}/${MY_P}" pkg_setup() { if [[ -z ${MAXATOMS} ]]; then einfo "If you like to have support for more then 10000 atoms," einfo "export MAXATOMS=\"your value\"" else einfo "Allow usage of ${MAXATOMS} during calculations" fi fortran-2_pkg_setup python_export_best } src_prepare() { rm -rf contrib/* || die epatch \ "${FILESDIR}"/${P}-ldflags.patch \ "${FILESDIR}"/${PN}-1.4.0-automagic.patch \ "${FILESDIR}"/1.7.0-install.patch sed \ -e '50,200s:CWD:DESTDIR:g' \ -i Makefile.am || die eautoreconf tc-export CC } src_configure() { # we need to compile the *.so as pic append-flags -fPIC FFLAGS="${FFLAGS} -fPIC" econf \ --with-max-atoms=${MAXATOMS:-10000} \ $(usex pdb2pka "" --disable-pdb2pka) \ $(use_with opal) \ NUMPY="${EPREFIX}/$(python_get_sitedir)" \ F77="$(tc-getFC)" } src_compile() { default if use doc; then pushd doc > /dev/null sh genpydoc.sh || die "genpydoc failed" popd > /dev/null fi } src_test() { emake -j1 test } src_install() { local lib dodir $(python_get_sitedir)/${PN} emake -j1 \ DESTDIR="${ED}$(python_get_sitedir)/${PN}" \ PREFIX="" install INPATH="$(python_get_sitedir)/${PN}" python_newscript "${ED}"/$(python_get_sitedir)/${PN}/${PN}.py ${PN} python_newscript "${ED}"/$(python_get_sitedir)/${PN}/pdb2pka/pka.py pdb2pka for lib in _apbs.so apbslib.py{,c,o}; do dosym ../../apbs/${lib} $(python_get_sitedir)/${PN}/pdb2pka/${lib} done if use doc; then pushd doc > /dev/null dohtml -r *.html images pydoc popd > /dev/null fi use examples && \ insinto /usr/share/${PN}/ && \ doins -r examples dodoc ChangeLog NEWS README AUTHORS } pkg_postinst() { python_mod_optimize ${PN} } pkg_postrm() { python_mod_cleanup ${PN} }
