diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2020-02-10 21:05:55 +0000 |
---|---|---|
committer | V3n3RiX <venerix@redcorelinux.org> | 2020-02-10 21:05:55 +0000 |
commit | 71deace00d1a2b091313fe137ab7092418c6f87c (patch) | |
tree | 9f1f0dee23e13658e52f49437befe78427148c51 /sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild | |
parent | 29aabba0ea759c6a2864ff5631735b67ee38e5e0 (diff) |
gentoo resync : 10.02.2020
Diffstat (limited to 'sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild')
-rw-r--r-- | sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild | 132 |
1 files changed, 0 insertions, 132 deletions
diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild deleted file mode 100644 index ad95f8f410fa..000000000000 --- a/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild +++ /dev/null @@ -1,132 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit scons-utils fortran-2 flag-o-matic python-r1 toolchain-funcs - -DESCRIPTION="Automated pipeline for performing Poisson-Boltzmann electrostatics calculations" -HOMEPAGE="https://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 x86 ~amd64-linux ~x86-linux" - -REQUIRED_USE="${PYTHON_REQUIRED_USE}" - -RDEPEND="${PYTHON_DEPS} - || ( - dev-python/numpy-python2[${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - ) - 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="${D}/$(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 "${D}$(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 -} |