jlec 14/10/28 09:00:32 Modified: ChangeLog Added: pdb2pqr-1.9.0-r1.ebuild Log: sci-chemistry/pdb2pqr: Allow multi py ABI installations, clean installation (Portage version: 2.2.14/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Revision Changes Path 1.43 sci-chemistry/pdb2pqr/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.43&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.43&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?r1=1.42&r2=1.43 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v retrieving revision 1.42 retrieving revision 1.43 diff -u -r1.42 -r1.43 --- ChangeLog 27 Oct 2014 17:17:03 -0000 1.42 +++ ChangeLog 28 Oct 2014 09:00:32 -0000 1.43 @@ -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 1.42 2014/10/27 17:17:03 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.43 2014/10/28 09:00:32 jlec Exp $ + +*pdb2pqr-1.9.0-r1 (28 Oct 2014) + + 28 Oct 2014; Justin Lecher <[email protected]> +pdb2pqr-1.9.0-r1.ebuild, + +files/pdb2pka, +files/pdb2pqr-1.9.0-install-py.patch, +files/pdb2pqr: + Allow multi py ABI installations, clean installation 27 Oct 2014; Justin Lecher <[email protected]> pdb2pqr-1.9.0.ebuild: Add missing PYTHON_USEDEP 1.1 sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r1.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r1.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r1.ebuild?rev=1.1&content-type=text/plain Index: pdb2pqr-1.9.0-r1.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-r1.ebuild,v 1.1 2014/10/28 09:00:32 jlec Exp $ EAPI=5 PYTHON_COMPAT=( python2_7 ) inherit autotools scons-utils fortran-2 flag-o-matic python-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[${PYTHON_USEDEP}] sci-chemistry/openbabel[python] sci-chemistry/openbabel-python[${PYTHON_USEDEP}] opal? ( dev-python/zsi[${PYTHON_USEDEP}] ) pdb2pka? ( sci-chemistry/apbs[${PYTHON_USEDEP},-mpi] )" DEPEND="${RDEPEND} dev-lang/swig:0" PATCHES=( "${FILESDIR}"/${P}-flags.patch "${FILESDIR}"/${P}-install-py.patch ) 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 } src_prepare() { find -type f \( -name "*\.pyc" -o -name "*\.pyo" \) -delete || die export CXXFLAGS="${CXXFLAGS}" export LDFLAGS="${LDFLAGS}" epatch ${PATCHES[@]} tc-export CXX rm -rf scons || die python_copy_sources } src_configure() { python_configure() { cd "${BUILD_DIR}" || 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 } python_foreach_impl python_configure } src_compile() { python_compile() { cd "${BUILD_DIR}" || die escons } python_foreach_impl python_compile } src_test() { python_test() { local myesconsargs=( -j1 ) cd "${BUILD_DIR}" || die escons test escons advtest escons complete-test } python_foreach_impl python_test } src_install() { dodir /usr/share/doc/${PF}/html python_install() { local lib cd "${BUILD_DIR}" || die escons install find "${ED}"$(python_get_sitedir)/${PN}/{jmol,examples,doc,contrib} -delete || die python_doscript "${FILESDIR}"/{${PN},pdb2pka} for lib in apbslib.py{,c,o}; do dosym ../../apbs/${lib} $(python_get_sitedir)/${PN}/pdb2pka/${lib} done dosym ../../_apbslib.so $(python_get_sitedir)/${PN}/pdb2pka/_apbslib.so python_optimize } python_foreach_impl python_install if use doc; then pushd doc > /dev/null docinto html dodoc -r *.html images pydoc popd > /dev/null fi use examples && \ insinto /usr/share/${PN}/ && \ doins -r examples dodoc *md NEWS }
