diff options
Diffstat (limited to 'sci-chemistry/openbabel-python')
5 files changed, 0 insertions, 432 deletions
diff --git a/sci-chemistry/openbabel-python/Manifest b/sci-chemistry/openbabel-python/Manifest index 0431b6bcd93d..fb43c0117165 100644 --- a/sci-chemistry/openbabel-python/Manifest +++ b/sci-chemistry/openbabel-python/Manifest @@ -1,9 +1,4 @@ -AUX openbabel-python-2.3.2-bindings_only.patch 8843 BLAKE2B 55661b83b40d440c3c442e84a75baa0c7c7cfe697626fd9e51b00975959438304dfb6220684edfd4cc3a12f20ac1a608a9bc1d8aa606159591a44da3d4987c1c SHA512 c933ac9f0c2370ceb305ebb831ab81e3d66dc9233d175f2b31f0e6ca0cc91dce591c46478ef5d5ccc118cfa8f6d82459331d5e7885bffa904ad486215c657333 AUX openbabel-python-2.3.2-gcc-6_and_7-backport.patch 635 BLAKE2B 4e98dedd149b14d5bb02fb6d2fa03e07242d100c7b41f36f749ff3d587080eeca44aa26ca095d31e0309e45f3780b67deaa97f1177ed35a9b7407bd7c33f78ff SHA512 e1b4402f34d01ced5b4caaa184b4e5544cf47893cfe7958054052b05a57dc34b4d44239a212c7d909f29b9366b83b6df74993f844a20f23748c01272ec093081 -AUX openbabel-python-2.3.2-swig-3.0.3.patch 4138 BLAKE2B c029caf309007de63c13f876c7e26f30078b8171cbf171f025d0a18267128b0e44faf1b503c38f88774ffc2f2a67669463513f3cca46bb78375bd04a2d89f2d4 SHA512 ac454d8f8a8e6d8942d493ee648ad190e275d616bea99cc16bede97e00733d4aa6522cf43a80707b3aa59a78ba68731ccdf748beb76fb2b69267b3b060a5e96f -AUX openbabel-python-2.3.2-testpybel.patch 1105 BLAKE2B a73e76780b0d3c3d0e2f16e5e90c2a6bd1ed83186955eb7e2ead3d9196ed684a447fb17ed71b544f45f03e9c42ae516309d4c755ad1933d766953f9a1c0df168 SHA512 65df0351fc626ba9d88c06c7f9e84e5707585f302baea4b4885faa3b190c29483b0016d7390e23c2d2444e83c39ad525ba52d7b8d22faed89d82beb480c5b469 -DIST openbabel-2.3.2.tar.gz 20509105 BLAKE2B d475c2da0d7171650eeb4b78a948421b783bdbb9342c81114d3dbc19d5cbb273f7303438920ffaeef5b6332e4b72606a86ded5cbd3d7e541f62b59b46483bb69 SHA512 d0e1f8b758ffdd65ec6c31d988bffe3279355e286ce69fad12c5905b3b832e2b73ee95b1061b1576aba1ee9fe4da5e31ec30350c473be17493c657dc80caf919 DIST openbabel-2.4.1.tar.gz 11618304 BLAKE2B 8fc051e83add9be6456e281a109bd6bbec282a64ffc83309819f0decbf167b4914fbb7f1966e95e103f268754045b804317f51c79a952ace707c6af2bd320125 SHA512 427e678f0a911bd27b9a8a05e60b6e09f113be4e5dd180daaf80c28d06368e52b57501261755ab3817a8d31f2754db24471fd0ceee706d029386d6f70800e9c6 -EBUILD openbabel-python-2.3.2.ebuild 2249 BLAKE2B 9ebd9593daa4d35cca9192e6cc83e46deaecbcc724ec1ead9a60101b7adc25abf108c8280c9be88c4efb9e083c62a3e6e2f86d95429edfe70436150e0c14c476 SHA512 5cda71fe2a54d46eb8d7d68e03c0791866172466a54769a032a03e3ab7327ad3c5dac96a937416dd576635528f6b1c0602f753fc13a3f44e8d79579620279fe7 EBUILD openbabel-python-2.4.1-r1.ebuild 2175 BLAKE2B a940a18ee6b73bd62143546a9a1bee6f8d06637af8f366cbfdde1a6827ea8e2ac707df4c354cf6a782282bf008befb92e903f40b8289ec19f5c131d0071bf711 SHA512 a4174ac5fabedd91719a7adba9bfac803ca231e223243a32eff6bfd98a95d6d21e0ab7c9ac0457f43b064866bb5876fb684449f6389764afa2365a83aa749ae2 MISC metadata.xml 737 BLAKE2B 9a5fe97df44ce22c6ee27133bbc6144132ee3775db77440adcd6c3e9c44b87cefbace4ebe17906af87f841e07deef5183e451a8c193232d2a6ca7da05c7a0ed7 SHA512 7ff97ef3f6752a8fed578676aa2cb9706b7d68e31ee22d26e90d4bbb01c10ff410b66da20a91b078293add3bcb3a3711ad180d5174368e0d588ea718ad297d7e diff --git a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-bindings_only.patch b/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-bindings_only.patch deleted file mode 100644 index 2e776b4029ec..000000000000 --- a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-bindings_only.patch +++ /dev/null @@ -1,209 +0,0 @@ -diff --git a/CMakeLists.txt b/CMakeLists.txt -index 449f4b4..1c9ad00 100644 ---- a/CMakeLists.txt -+++ b/CMakeLists.txt -@@ -252,7 +252,8 @@ if(NOT MSVC) - } - " SCANDIR_NEEDS_CONST) - -- set(OB_MODULE_PATH "${CMAKE_INSTALL_PREFIX}/${OB_PLUGIN_INSTALL_DIR}") -+ set(OB_MODULE_PATH "${CMAKE_INSTALL_PREFIX}/${OB_PLUGIN_INSTALL_DIR}" -+ CACHE PATH "Set to system install for bindings only build") - add_definitions(-DOB_MODULE_PATH="\\"${OB_MODULE_PATH}\\"") - - # Add some visibility support when using GCC -@@ -380,7 +381,8 @@ if(UNIX AND BUILD_SHARED) - if(APPLE) - set(CMAKE_INSTALL_NAME_DIR ${CMAKE_INSTALL_PREFIX}/${LIB_INSTALL_DIR}) - else() -- set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/${LIB_INSTALL_DIR}") -+ set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/${LIB_INSTALL_DIR}" -+ CACHE PATH "Set sane rpath") - set(CMAKE_SKIP_BUILD_RPATH FALSE) - set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE) - set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) -@@ -477,6 +479,13 @@ endif() - # Should the language bindings be regenereted? - option(RUN_SWIG "Generate language bindings with SWIG" OFF) - -+# Build bindings only -+option(BINDINGS_ONLY "Build bindings only" OFF) -+ -+# Point to library if building bindings only -+set(BABEL_SYSTEM_LIBRARY ${BABEL_LIBRARY} -+ CACHE PATH "Point to openbabel library if building bindings only") -+ - # Should all bindings be built? - option(ALL_BINDINGS "Build all languages bindings" OFF) - -diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt -index 16e9000..ecd2295 100644 ---- a/scripts/CMakeLists.txt -+++ b/scripts/CMakeLists.txt -@@ -92,16 +92,30 @@ if (DO_PYTHON_BINDINGS) - endif(RUN_SWIG) - - add_library(bindings_python MODULE ${openbabel_SOURCE_DIR}/scripts/python/openbabel-python.cpp) -- target_link_libraries(bindings_python ${PYTHON_LIBRARIES} ${BABEL_LIBRARY}) -+ if(BINDINGS_ONLY) -+ target_link_libraries(bindings_python ${PYTHON_LIBRARIES} ${BABEL_SYSTEM_LIBRARY}) -+ else() -+ target_link_libraries(bindings_python ${PYTHON_LIBRARIES} ${BABEL_LIBRARY}) -+ endif() -+ - if(NOT WIN32) - set_target_properties(bindings_python PROPERTIES - OUTPUT_NAME _openbabel - PREFIX "" - SUFFIX .so ) -- add_dependencies(bindings_python openbabel) -- install(TARGETS bindings_python LIBRARY DESTINATION ${LIB_INSTALL_DIR}) -- install(FILES ${openbabel_SOURCE_DIR}/scripts/python/openbabel.py DESTINATION ${LIB_INSTALL_DIR}) -- install(FILES ${openbabel_SOURCE_DIR}/scripts/python/pybel.py DESTINATION ${LIB_INSTALL_DIR}) -+ if(NOT BINDINGS_ONLY) -+ add_dependencies(bindings_python openbabel) -+ endif() -+ -+ install(TARGETS bindings_python -+ LIBRARY DESTINATION ${LIB_INSTALL_DIR} -+ COMPONENT bindings_python) -+ install(FILES ${openbabel_SOURCE_DIR}/scripts/python/openbabel.py -+ DESTINATION ${LIB_INSTALL_DIR} -+ COMPONENT bindings_python) -+ install(FILES ${openbabel_SOURCE_DIR}/scripts/python/pybel.py -+ DESTINATION ${LIB_INSTALL_DIR} -+ COMPONENT bindings_python) - else(NOT WIN32) - set_target_properties(bindings_python PROPERTIES - OUTPUT_NAME _openbabel -diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt -index 7841782..6f3495f 100644 ---- a/test/CMakeLists.txt -+++ b/test/CMakeLists.txt -@@ -2,7 +2,12 @@ - add_definitions(-DTESTDATADIR="\\"${CMAKE_SOURCE_DIR}/test/files/\\"") - - # define FORMATDIR for location of format plugin binaries --add_definitions(-DFORMATDIR="\\"${openbabel_BINARY_DIR}/lib/\\"") -+if(BINDINGS_ONLY) -+ set(FORMATDIR "${OB_MODULE_PATH}/") -+else() -+ set(FORMATDIR "${openbabel_BINARY_DIR}/lib${LIB_SUFFIX}/") -+endif() -+add_definitions(-DFORMATDIR="\\"${FORMATDIR}/\\"") - - ########################################################### - # new tests using obtest.h -@@ -89,7 +94,7 @@ foreach(test ${tests}) - add_test(${test}_Test ${TEST_PATH}/test_${test}) - set_tests_properties(${test}_Test PROPERTIES - FAIL_REGULAR_EXPRESSION "ERROR;FAIL;Test failed" -- ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib") -+ ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}") - endforeach(test ${tests}) - - ############################################################ -@@ -152,7 +157,7 @@ if(WITH_INCHI) - ${TEST_PATH}/test_inchiwrite ${inchidata}/${test} ${inchidata}/${test}.txt) - set_tests_properties(inchi${test}_Test PROPERTIES - FAIL_REGULAR_EXPRESSION "Not ok" -- ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib" -+ ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" - ) - endforeach(test ${inchitests}) - endif(WITH_INCHI) -@@ -166,7 +171,7 @@ foreach(test ${old_tests}) - add_test(${test}_Test ${TEST_PATH}/test_${test}) - set_tests_properties(${test}_Test PROPERTIES - FAIL_REGULAR_EXPRESSION "not ok" -- ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib" -+ ENVIRONMENT "BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data;LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" - ) - endforeach(test ${old_tests}) - -@@ -181,8 +186,8 @@ if(NOT BUILD_SHARED AND NOT BUILD_MIXED) - endif() - install(TARGETS roundtrip - RUNTIME DESTINATION bin -- LIBRARY DESTINATION lib -- ARCHIVE DESTINATION lib -+ LIBRARY DESTINATION lib${LIB_SUFFIX} -+ ARCHIVE DESTINATION lib${LIB_SUFFIX} - ) - - ########################### -@@ -199,10 +204,10 @@ if(NOT MINGW AND NOT CYGWIN) - babel sym smartssym fastsearch unique kekule) - foreach(pytest ${pytests}) - SET_SOURCE_FILES_PROPERTIES(test${pytest}.py PROPERTIES -- PYTHONPATH "${CMAKE_SOURCE_DIR}/scripts/python:${CMAKE_BINARY_DIR}/lib" -- BABEL_LIBDIR "${CMAKE_BINARY_DIR}/lib" -+ PYTHONPATH "${CMAKE_SOURCE_DIR}/scripts/python:${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" -+ BABEL_LIBDIR "${FORMATDIR}" - BABEL_DATADIR "${CMAKE_SOURCE_DIR}/data" -- LD_LIBRARY_PATH "${CMAKE_BINARY_DIR}/lib" -+ LD_LIBRARY_PATH "${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" - ) - ADD_PYTHON_TEST(pytest_${pytest} test${pytest}.py) - set_tests_properties(pytest_${pytest} PROPERTIES -@@ -221,10 +226,10 @@ if (PYTHON_BINDINGS) - bindings _pybel example) - foreach(pybindtest ${pybindtests}) - SET_SOURCE_FILES_PROPERTIES(test${pybindtest}.py PROPERTIES -- PYTHONPATH "${CMAKE_SOURCE_DIR}/scripts/python:${CMAKE_BINARY_DIR}/lib" -- BABEL_LIBDIR "${CMAKE_BINARY_DIR}/lib" -+ PYTHONPATH "${CMAKE_SOURCE_DIR}/scripts/python:${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" -+ BABEL_LIBDIR "${FORMATDIR}" - BABEL_DATADIR "${CMAKE_SOURCE_DIR}/data" -- LD_LIBRARY_PATH "${CMAKE_BINARY_DIR}/lib" -+ LD_LIBRARY_PATH "${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}" - ) - if(MSVC) - SET_SOURCE_FILES_PROPERTIES(test${pybindtest}.py PROPERTIES -diff --git a/tools/CMakeLists.txt b/tools/CMakeLists.txt -index 1f547bf..fb98441 100644 ---- a/tools/CMakeLists.txt -+++ b/tools/CMakeLists.txt -@@ -38,8 +38,8 @@ if(BUILD_SHARED) - target_link_libraries(${tool} ${BABEL_LIBRARY}) - install(TARGETS ${tool} - RUNTIME DESTINATION bin -- LIBRARY DESTINATION lib -- ARCHIVE DESTINATION lib -+ LIBRARY DESTINATION lib${LIB_SUFFIX} -+ ARCHIVE DESTINATION lib${LIB_SUFFIX} - ) - endforeach(tool) - -@@ -53,8 +53,8 @@ if(BUILD_SHARED) - target_link_libraries(obspectrophore ${BABEL_LIBRARY}) - install(TARGETS obspectrophore - RUNTIME DESTINATION bin -- LIBRARY DESTINATION lib -- ARCHIVE DESTINATION lib -+ LIBRARY DESTINATION lib${LIB_SUFFIX} -+ ARCHIVE DESTINATION lib${LIB_SUFFIX} - ) - - # obgrep -- requires getopt -@@ -66,8 +66,8 @@ if(BUILD_SHARED) - target_link_libraries(obgrep ${BABEL_LIBRARY}) - install(TARGETS obgrep - RUNTIME DESTINATION bin -- LIBRARY DESTINATION lib -- ARCHIVE DESTINATION lib -+ LIBRARY DESTINATION lib${LIB_SUFFIX} -+ ARCHIVE DESTINATION lib${LIB_SUFFIX} - ) - endif(NOT MINIMAL_BUILD) - -@@ -146,7 +146,7 @@ else(BUILD_SHARED) - - install(TARGETS babel - RUNTIME DESTINATION bin -- LIBRARY DESTINATION lib -- ARCHIVE DESTINATION lib) -+ LIBRARY DESTINATION lib${LIB_SUFFIX} -+ ARCHIVE DESTINATION lib${LIB_SUFFIX}) - - endif(BUILD_SHARED) diff --git a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-swig-3.0.3.patch b/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-swig-3.0.3.patch deleted file mode 100644 index d30efd55bd92..000000000000 --- a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-swig-3.0.3.patch +++ /dev/null @@ -1,97 +0,0 @@ - scripts/openbabel-python.i | 34 +++++++++++++++++----------------- - 1 file changed, 17 insertions(+), 17 deletions(-) - -diff --git a/scripts/openbabel-python.i b/scripts/openbabel-python.i -index 7cb8f24..d893129 100644 ---- a/scripts/openbabel-python.i -+++ b/scripts/openbabel-python.i -@@ -227,7 +227,7 @@ CAST_GENERICDATA_TO(SquarePlanarStereo) - %include <openbabel/math/transform3d.h> - %include <openbabel/math/spacegroup.h> - --# CloneData should be used instead of the following method -+// CloneData should be used instead of the following method - %ignore OpenBabel::OBBase::SetData; - %include <openbabel/base.h> - -@@ -289,7 +289,7 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %ignore OpenBabel::OBDescriptor::LessThan; - %include <openbabel/descriptor.h> - --# Ignore shadowed methods -+// Ignore shadowed methods - %ignore OpenBabel::OBForceField::VectorSubtract(const double *const, const double *const, double *); - %ignore OpenBabel::OBForceField::VectorMultiply(const double *const, const double, double *); - %include <openbabel/forcefield.h> -@@ -310,7 +310,7 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - - %warnfilter(503) OpenBabel::OBBitVec; // Not wrapping any of the overloaded operators - %include <openbabel/bitvec.h> --# Ignore shadowed method -+// Ignore shadowed method - %ignore OpenBabel::OBRotor::GetRotAtoms() const; - %include <openbabel/rotor.h> - %ignore OpenBabel::Swab; -@@ -321,13 +321,13 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %include <openbabel/math/align.h> - #endif - --# The following %ignores avoid warning messages due to shadowed classes. --# This does not imply a loss of functionality as (in this case) --# the shadowed class is identical (from the point of view of SWIG) to --# the shadowing class. --# This is because C++ references (&) are transformed by SWIG back into --# pointers, so that OBAtomIter(OBMol &) would be treated the same as --# OBAtomIter(OBMol *). -+// The following %ignores avoid warning messages due to shadowed classes. -+// This does not imply a loss of functionality as (in this case) -+// the shadowed class is identical (from the point of view of SWIG) to -+// the shadowing class. -+// This is because C++ references (&) are transformed by SWIG back into -+// pointers, so that OBAtomIter(OBMol &) would be treated the same as -+// OBAtomIter(OBMol *). - - %ignore OBAtomAtomIter(OBAtom &); - %ignore OBAtomBondIter(OBAtom &); -@@ -346,9 +346,9 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %ignore OBResidueIter(OBMol &); - %ignore OBResidueAtomIter(OBResidue &); - --# These classes are renamed so that they can be replaced by Python --# classes of the same name which provide Pythonic iterators --# (see %pythoncode section below) -+// These classes are renamed so that they can be replaced by Python -+// classes of the same name which provide Pythonic iterators -+// (see %pythoncode section below) - - %rename(_OBAtomAtomIter) OpenBabel::OBAtomAtomIter; - %rename(_OBAtomBondIter) OpenBabel::OBAtomBondIter; -@@ -367,8 +367,8 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - - %include <openbabel/obiter.h> - --# The following class, OBiter, is subclassed to provide Python iterators --# equivalent to the C++ iterators in obiter.h and the plugin iterators -+// The following class, OBiter, is subclassed to provide Python iterators -+// equivalent to the C++ iterators in obiter.h and the plugin iterators - - %pythoncode %{ - class OBIter(object): -@@ -459,7 +459,7 @@ def double_array(mylist): - return c - %} - --# Copy some of the global variables in cvar into the openbabel namespace -+// Copy some of the global variables in cvar into the openbabel namespace - - %pythoncode %{ - obErrorLog = cvar.obErrorLog -@@ -470,7 +470,7 @@ atomtyper = cvar.atomtyper - aromtyper = cvar.aromtyper - %} - --# Functions to set the log file to std::cout and std::cerr -+// Functions to set the log file to std::cout and std::cerr - - %ignore OBForceField::SetLogFile(std::ostream *pos); - %extend OpenBabel::OBForceField { diff --git a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-testpybel.patch b/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-testpybel.patch deleted file mode 100644 index 7a0114975fff..000000000000 --- a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.2-testpybel.patch +++ /dev/null @@ -1,28 +0,0 @@ -From b34edb6de512e5735d87cb0893804a4abd14f9b7 Mon Sep 17 00:00:00 2001 -From: baoilleach <baoilleach@71e0b675-c112-0410-beda-96664073b5c2> -Date: Mon, 1 Oct 2012 20:40:36 +0000 -Subject: [PATCH] scripts/python/testpybel.py: Minor fix to enable failing - test to pass. Failures due to the new MOL Chiral Flag data - that I stored a while ago. - -git-svn-id: https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk@5022 71e0b675-c112-0410-beda-96664073b5c2 ---- - scripts/python/examples/testpybel.py | 2 +- - 1 file changed, 1 insertion(+), 1 deletion(-) - -diff --git a/scripts/python/examples/testpybel.py b/scripts/python/examples/testpybel.py -index aa5fcd4..7951851 100644 ---- a/scripts/python/examples/testpybel.py -+++ b/scripts/python/examples/testpybel.py -@@ -336,7 +336,7 @@ class TestPybel(TestToolkit): - tpsaname = "TPSA" - Nbits = 3 - Nfpbits = 32 -- datakeys = ['NSC', 'Comment', 'OpenBabel Symmetry Classes'] -+ datakeys = ['NSC', 'Comment', 'OpenBabel Symmetry Classes', 'MOL Chiral Flag'] - - def testFP_FP3(self): - "Checking the results from FP3" --- -1.7.12.3 - diff --git a/sci-chemistry/openbabel-python/openbabel-python-2.3.2.ebuild b/sci-chemistry/openbabel-python/openbabel-python-2.3.2.ebuild deleted file mode 100644 index 999a73bc7948..000000000000 --- a/sci-chemistry/openbabel-python/openbabel-python-2.3.2.ebuild +++ /dev/null @@ -1,93 +0,0 @@ -# Copyright 1999-2017 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 python3_4 ) - -inherit cmake-utils eutils multilib python-r1 - -DESCRIPTION="Python bindings for OpenBabel (including Pybel)" -HOMEPAGE="http://openbabel.sourceforge.net/" -SRC_URI="mirror://sourceforge/openbabel/openbabel-${PV}.tar.gz" - -KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux" -SLOT="0" -LICENSE="GPL-2" -IUSE="" - -REQUIRED_USE="${PYTHON_REQUIRED_USE}" - -RDEPEND="${PYTHON_DEPS} - ~sci-chemistry/openbabel-${PV} - sys-libs/zlib" -DEPEND="${RDEPEND} - >=dev-lang/swig-2" - -S="${WORKDIR}"/openbabel-${PV} - -PATCHES=( - "${FILESDIR}"/${P}-testpybel.patch - "${FILESDIR}"/${P}-bindings_only.patch - "${FILESDIR}"/${P}-swig-3.0.3.patch - "${FILESDIR}"/${P}-gcc-6_and_7-backport.patch - ) - -src_prepare() { - cmake-utils_src_prepare - sed \ - -e "s:\"\.\.\":\"${EPREFIX}/usr\":g" \ - -i test/testbabel.py || die - swig -python -c++ -small -O -templatereduce -naturalvar \ - -I"${EPREFIX}/usr/include/openbabel-2.0" \ - -o scripts/python/openbabel-python.cpp \ - -DHAVE_EIGEN \ - -outdir scripts/python \ - scripts/openbabel-python.i \ - || die "Regeneration of openbabel-python.cpp failed" - sed \ - -e '/__GNUC__/s:== 4:>= 4:g' \ - -i include/openbabel/shared_ptr.h || die -} - -src_configure() { - my_impl_src_configure() { - local mycmakeargs=( - -DCMAKE_INSTALL_RPATH= - -DBINDINGS_ONLY=ON - -DBABEL_SYSTEM_LIBRARY="${EPREFIX}/usr/$(get_libdir)/libopenbabel.so" - -DOB_MODULE_PATH="${EPREFIX}/usr/$(get_libdir)/openbabel/${PV}" - -DLIB_INSTALL_DIR="${D}$(python_get_sitedir)" - -DPYTHON_BINDINGS=ON - -DPYTHON_EXECUTABLE=${PYTHON} - -DPYTHON_INCLUDE_DIR="$(python_get_includedir)" - -DPYTHON_INCLUDE_PATH="$(python_get_includedir)" - -DPYTHON_LIBRARY="$(python_get_library_path)" - -DENABLE_TESTS=ON - ) - - cmake-utils_src_configure - } - - python_foreach_impl my_impl_src_configure -} - -src_compile() { - python_foreach_impl cmake-utils_src_make bindings_python -} - -src_test() { - python_foreach_impl cmake-utils_src_test -R py -} - -src_install() { - my_impl_src_install() { - cd "${BUILD_DIR}" || die - - cmake -DCOMPONENT=bindings_python -P cmake_install.cmake - - python_optimize - } - - python_foreach_impl my_impl_src_install -} |