jlec 14/10/27 17:03:21 Modified: ChangeLog Added: pdb2pqr-1.9.0.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 1.41 sci-chemistry/pdb2pqr/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.41&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.41&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?r1=1.40&r2=1.41 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v retrieving revision 1.40 retrieving revision 1.41 diff -u -r1.40 -r1.41 --- ChangeLog 24 Oct 2014 12:06:42 -0000 1.40 +++ ChangeLog 27 Oct 2014 17:03:21 -0000 1.41 @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/pdb2pqr # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.40 2014/10/24 12:06:42 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.41 2014/10/27 17:03:21 jlec Exp $ + +*pdb2pqr-1.9.0 (27 Oct 2014) + + 27 Oct 2014; Justin Lecher <[email protected]> +pdb2pqr-1.9.0.ebuild, + +files/pdb2pqr-1.9.0-flags.patch: + Version Bump *pdb2pqr-1.8.0-r1 (24 Oct 2014) 1.1 sci-chemistry/pdb2pqr/pdb2pqr-1.9.0.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0.ebuild?rev=1.1&content-type=text/plain Index: pdb2pqr-1.9.0.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-1.9.0.ebuild,v 1.1 2014/10/27 17:03:21 jlec Exp $ EAPI=5 PYTHON_COMPAT=( python2_7 ) inherit autotools scons-utils fortran-2 flag-o-matic python-single-r1 toolchain-funcs DESCRIPTION="An automated pipeline for performing Poisson-Boltzmann electrostatics calculations" HOMEPAGE="http://www.poissonboltzmann.org/"; SRC_URI="https://github.com/Electrostatics/apbs-${PN}/releases/download/${P}/${PN}-src-${PV}.tar.gz"; SLOT="0" LICENSE="BSD" IUSE="doc examples opal +pdb2pka" KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux" REQUIRED_USE="${PYTHON_REQUIRED_USE}" RDEPEND="${PYTHON_DEPS} dev-python/numpy[${PYTHON_USEDEP}] sci-chemistry/openbabel[python] opal? ( dev-python/zsi[${PYTHON_USEDEP}] ) pdb2pka? ( sci-chemistry/apbs[${PYTHON_USEDEP},-mpi] )" DEPEND="${RDEPEND} dev-lang/swig:0" pkg_setup() { if [[ -z ${MAXATOMS} ]]; then einfo "If you like to have support for more then 10000 atoms," einfo "export MAXATOMS=\"your value\"" export MAXATOMS=10000 else einfo "Allow usage of ${MAXATOMS} during calculations" fi fortran-2_pkg_setup python-single-r1_pkg_setup } src_prepare() { find -type f \( -name "*\.pyc" -o -name "*\.pyo" \) -delete || die cat > build_config.py <<- EOF PREFIX="${ED}/$(python_get_sitedir)/${PN}" #URL="http://<COMPUTER NAME>/pdb2pqr/" APBS="${EPREFIX}/usr/bin/apbs" #OPAL="http://nbcr-222.ucsd.edu/opal2/services/pdb2pqr_1.8"; #APBS_OPAL="http://nbcr-222.ucsd.edu/opal2/services/apbs_1.3"; MAX_ATOMS=${MAXATOMS} BUILD_PDB2PKA=$(usex pdb2pka True False) REBUILD_SWIG=True EOF export CXXFLAGS="${CXXFLAGS}" export LDFLAGS="${LDFLAGS}" epatch "${FILESDIR}"/${P}-flags.patch tc-export CXX rm -rf scons || die } src_compile() { escons } src_test() { local myesconsargs=( -j1 ) escons test escons advtest escons complete-test } src_install() { escons install local lib make_wrapper ${PN} "${PYTHON} /$(python_get_sitedir)/${PN}/${PN}.py" make_wrapper pdb2pka "${PYTHON} /$(python_get_sitedir)/${PN}/pdb2pka/pka.py" for lib in apbslib.py{,c,o}; do dosym ../../apbs/${lib} $(python_get_sitedir)/${PN}/pdb2pka/${lib} done dosym ../../_apbslib.so $(python_get_sitedir)/${PN}/pdb2pka/_apbslib.so if use doc; then pushd doc > /dev/null dohtml -r *.html images pydoc popd > /dev/null fi use examples && \ insinto /usr/share/${PN}/ && \ doins -r examples dodir /usr/share/doc/${PF}/html mv "${ED}"$(python_get_sitedir)/${PN}/doc/pydoc/* "${ED}"/usr/share/doc/${PF}/html || die rmdir "${ED}"$(python_get_sitedir)/${PN}/doc/pydoc || die mv "${ED}"$(python_get_sitedir)/${PN}/doc/* "${ED}"/usr/share/doc/${PF}/ || die dodoc *md NEWS find "${ED}"$(python_get_sitedir)/${PN}/contrib -delete || die python_optimize }
