diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2020-02-10 21:05:55 +0000 |
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committer | V3n3RiX <venerix@redcorelinux.org> | 2020-02-10 21:05:55 +0000 |
commit | 71deace00d1a2b091313fe137ab7092418c6f87c (patch) | |
tree | 9f1f0dee23e13658e52f49437befe78427148c51 /sci-chemistry/pdb2pqr | |
parent | 29aabba0ea759c6a2864ff5631735b67ee38e5e0 (diff) |
gentoo resync : 10.02.2020
Diffstat (limited to 'sci-chemistry/pdb2pqr')
-rw-r--r-- | sci-chemistry/pdb2pqr/Manifest | 2 | ||||
-rw-r--r-- | sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r3.ebuild (renamed from sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild) | 72 |
2 files changed, 28 insertions, 46 deletions
diff --git a/sci-chemistry/pdb2pqr/Manifest b/sci-chemistry/pdb2pqr/Manifest index 911dbff7ccca..d057f25d651e 100644 --- a/sci-chemistry/pdb2pqr/Manifest +++ b/sci-chemistry/pdb2pqr/Manifest @@ -3,5 +3,5 @@ AUX pdb2pqr 263 BLAKE2B 3cbd33cf9fb9fd6469c71d8d167ed0fb85ad7b87b6caf27dabb2490b AUX pdb2pqr-1.9.0-flags.patch 1392 BLAKE2B b6b6ac64f98944d85fc93c076d7258c8f980a0391d2cf086edc46bca3f4ef15a5cb720ef8ae2dc38007962a462fb88e92eb4f439c4f3267a5d1d83de5a848dd6 SHA512 deed0aef88dc43515745204f2b4209bd6b42702d9004d48797d642b8f497229424bd0bb92017982cec54c448ea35de563bd42017cd5dc042840acae8495d135b AUX pdb2pqr-1.9.0-install-py.patch 578 BLAKE2B 91ad4b40ce3d13b574ad6d9ea84e55b08803fa018490a7327dae5621a371adfeda509188c049144301cbc023f4407f6c0daf7b57e7d3c10d95d78ab570a6f540 SHA512 902ad717e32790e9c691851dc4b92412f07ac79caf74b2b5794a10fa75cca7fa19e8814df4d8ba71bd2ecc98a3d777d0b79e6e43009171a32e8c99756d81d4d2 DIST pdb2pqr-src-1.9.0.tar.gz 9051969 BLAKE2B bacb2c65d319fb918a7a15b772c250398ffa991a93ee731ec15c8ae907304daf57282bf83c24f84d11945349a7f93f6f934575c117d4ce24d6530f14e60f3730 SHA512 7f3f191cca9879a0e166e82700c706f8c99bb66558a218e54845f10c3324b6c45d413da80b0782d96a8d56df1463262609db075aba3768db3942cb928ee7b98f -EBUILD pdb2pqr-1.9.0-r2.ebuild 2961 BLAKE2B b8aa0bba7cb9d94f8a8fcc3246ae63d6c8a92f8148fbf28b73b683425b00bedb58069250b06e6e08e21ca483343723738c70c8c7e19309559d05c032c5bb4d62 SHA512 5e613fe7a2e927634fde7f685a8ab9429f171d469280a21c8004dd718a22e4ed5bcfb30e0d5ea6426744e0a75f4ffd366ae93d7c458d6bd72e0269e7dcb006a4 +EBUILD pdb2pqr-1.9.0-r3.ebuild 2679 BLAKE2B 882e244c9764c317df96195e4c9049a8a23872c458487ed4e897263cc99b5e1fa8bb7a3a70bf34fda447d71767ee4eb59fa49c4beecbd04fd2577438bb8aaf8e SHA512 f5037488f9ecdc9be44fb1dcc15ec55db932fc4268b61db7d95375e0e22d9f54f0315a5c0eb4398919f8620c167adbdd5e632bcdb241724ebc77efb7e7442802 MISC metadata.xml 511 BLAKE2B 70a1bf9ff6db44bdbae39b1f58ac5b80769738b2ce8fbb19b3bcb9fbf7cec2a9eab215a7a922025b9110673cb834255240adf10613fd78a8fea47fa7be4fbba9 SHA512 11a010eea3bbbaaf4150a23dadcd10c45737745d51a3341cd7e69cc8537215f313d1ab57059eff265e73e34aeaef435585bb652f5497508dd12b99f67b8580c0 diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r3.ebuild index ad95f8f410fa..179e6448d605 100644 --- a/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r2.ebuild +++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.9.0-r3.ebuild @@ -5,7 +5,7 @@ EAPI=5 PYTHON_COMPAT=( python2_7 ) -inherit scons-utils fortran-2 flag-o-matic python-r1 toolchain-funcs +inherit scons-utils fortran-2 flag-o-matic python-single-r1 toolchain-funcs DESCRIPTION="Automated pipeline for performing Poisson-Boltzmann electrostatics calculations" HOMEPAGE="https://www.poissonboltzmann.org/" @@ -19,13 +19,15 @@ 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] )" + $(python_gen_cond_dep ' + || ( + dev-python/numpy-python2[${PYTHON_MULTI_USEDEP}] + dev-python/numpy[${PYTHON_MULTI_USEDEP}] + ) + sci-chemistry/openbabel-python[${PYTHON_MULTI_USEDEP}] + opal? ( dev-python/zsi[${PYTHON_MULTI_USEDEP}] ) + ') + pdb2pka? ( sci-chemistry/apbs[${PYTHON_SINGLE_USEDEP},-mpi] )" DEPEND="${RDEPEND} dev-lang/swig:0" @@ -43,6 +45,7 @@ pkg_setup() { einfo "Allow usage of ${MAXATOMS} during calculations" fi fortran-2_pkg_setup + python-single-r1_pkg_setup } src_prepare() { @@ -54,15 +57,10 @@ src_prepare() { epatch "${PATCHES[@]}" tc-export CXX rm -rf scons || die - - python_copy_sources } src_configure() { - python_configure() { - cd "${BUILD_DIR}" || die - - cat > build_config.py <<- EOF + cat > build_config.py <<- EOF PREFIX="${D}/$(python_get_sitedir)/${PN}" #URL="http://<COMPUTER NAME>/pdb2pqr/" APBS="${EPREFIX}/usr/bin/apbs" @@ -71,51 +69,35 @@ src_configure() { MAX_ATOMS=${MAXATOMS} BUILD_PDB2PKA=$(usex pdb2pka True False) REBUILD_SWIG=True - EOF - } - - python_foreach_impl python_configure + EOF } src_compile() { - python_compile() { - cd "${BUILD_DIR}" || die - escons - } - python_foreach_impl python_compile + escons } src_test() { - python_test() { - local myesconsargs=( -j1 ) - cd "${BUILD_DIR}" || die - escons test - escons advtest - escons complete-test - } - python_foreach_impl python_test + local myesconsargs=( -j1 ) + escons test + escons advtest + escons complete-test } src_install() { dodir /usr/share/doc/${PF}/html - python_install() { - local lib - - cd "${BUILD_DIR}" || die + local lib - escons install + escons install - find "${D}$(python_get_sitedir)"/${PN}/{jmol,examples,doc,contrib} -delete || die + find "${D}$(python_get_sitedir)"/${PN}/{jmol,examples,doc,contrib} -delete || die - python_doscript "${FILESDIR}"/{${PN},pdb2pka} + python_doscript "${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 + 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 if use doc; then pushd doc > /dev/null |