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| author | root <root@alpha.trunkmasters.com> | 2026-06-04 16:24:49 -0500 |
|---|---|---|
| committer | root <root@alpha.trunkmasters.com> | 2026-06-04 16:24:49 -0500 |
| commit | a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7 (patch) | |
| tree | 0c52bbae1c242fbc296bd650fcd1167685f81492 /sci-chemistry/openbabel | |
| parent | bfd9c39e4712ebdb442d4ca0673061faed1e70e1 (diff) | |
| download | baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.tar.gz baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.tar.xz baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.zip | |
Adding metadata
Diffstat (limited to 'sci-chemistry/openbabel')
9 files changed, 0 insertions, 972 deletions
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest deleted file mode 100644 index 336f074b2917..000000000000 --- a/sci-chemistry/openbabel/Manifest +++ /dev/null @@ -1 +0,0 @@ -DIST openbabel-3.1.1_p20241221.tar.gz 36864825 BLAKE2B 55e6fbdd5c50a557c40fd5ffaca41753f73175b2b4eea22abe5c2b0031363e3c133acf9a8daf5b1cb362a3adb6398204497af036b9a7ba3630c1d8ccbce0f9d3 SHA512 44340c3d08b22783cf6a702c192480869b73fef21104641feaf5cbcd51f693fd17bb05ad31a3520f330aa57733d6f4be707b3c1243b3010d6ceccca8974e732f diff --git a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-cmake4.patch b/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-cmake4.patch deleted file mode 100644 index 822213a7bddb..000000000000 --- a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-cmake4.patch +++ /dev/null @@ -1,78 +0,0 @@ -https://github.com/openbabel/openbabel/pull/2784.patch -From fda825d390af8b5eaf79d7b7c39c19ab5ce317ac Mon Sep 17 00:00:00 2001 -From: Nicolas PARLANT <nicolas.parlant@parhuet.fr> -Date: Wed, 26 Mar 2025 10:24:42 +0000 -Subject: [PATCH] cmake4 compat : - -* up cmake_minimum_required to 3.10 -* delete CMP0042 because OLD behavior is removed in cmake-4 and -is no longer used. -* set ENABLE_EXPORTS for test_runner (OLD behavior for CMP0065 is removed -in cmake4) - -Signed-off-by: Nicolas PARLANT <nicolas.parlant@parhuet.fr> ---- - CMakeLists.txt | 7 ++----- - doc/examples/static_executable/CMakeLists.txt | 2 +- - scripts/CMakeLists.txt | 2 +- - test/CMakeLists.txt | 1 + - 4 files changed, 5 insertions(+), 7 deletions(-) - -diff --git a/CMakeLists.txt b/CMakeLists.txt -index 9d2a9f143e..f8440e412e 100644 ---- a/CMakeLists.txt -+++ b/CMakeLists.txt -@@ -1,6 +1,6 @@ --# Please ensure that any changes remain compliant with 3.1. -+# Please ensure that any changes remain compliant with 3.10. - if(NOT EMBED_OPENBABEL) -- cmake_minimum_required(VERSION 3.1) -+ cmake_minimum_required(VERSION 3.10) - endif() - - project(openbabel) -@@ -10,9 +10,6 @@ set (CMAKE_CXX_STANDARD 11) - - if(COMMAND cmake_policy) - cmake_policy(SET CMP0003 NEW) -- if(POLICY CMP0042) -- cmake_policy(SET CMP0042 OLD) -- endif() - endif() - - include (CheckCXXCompilerFlag) -diff --git a/doc/examples/static_executable/CMakeLists.txt b/doc/examples/static_executable/CMakeLists.txt -index 0ed21beaaf..63dae2a468 100644 ---- a/doc/examples/static_executable/CMakeLists.txt -+++ b/doc/examples/static_executable/CMakeLists.txt -@@ -25,7 +25,7 @@ - # - - # This line is required for cmake backwards compatibility. --cmake_minimum_required(VERSION 2.6) -+cmake_minimum_required(VERSION 3.10) - - # Name of your project - project(myproject) -diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt -index 792e4592d0..eafda66c5a 100644 ---- a/scripts/CMakeLists.txt -+++ b/scripts/CMakeLists.txt -@@ -1,4 +1,4 @@ --cmake_minimum_required(VERSION 2.6.0) -+cmake_minimum_required(VERSION 3.10.0) - # Library versioning (used in Mac Python bindings)x - set(SOVERSION 4) - -diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt -index 2ecf0dbe22..280eac471f 100644 ---- a/test/CMakeLists.txt -+++ b/test/CMakeLists.txt -@@ -152,6 +152,7 @@ endif() - - add_executable(test_runner ${srclist} obtest.cpp) - target_link_libraries(test_runner ${libs}) -+set_target_properties(test_runner PROPERTIES ENABLE_EXPORTS TRUE) - - if(NOT BUILD_SHARED AND NOT BUILD_MIXED) - set_target_properties(test_runner PROPERTIES LINK_SEARCH_END_STATIC TRUE) diff --git a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_examples.patch b/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_examples.patch deleted file mode 100644 index b61d3bc29b98..000000000000 --- a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_examples.patch +++ /dev/null @@ -1,13 +0,0 @@ -prevent installation of examples in /usr/bin -all files from examples are 'RUNTIME', no lib ---- a/doc/examples/CMakeLists.txt -+++ b/doc/examples/CMakeLists.txt -@@ -7,7 +7,7 @@ - add_executable(${example} ${example}.cpp) - target_link_libraries(${example} ${BABEL_LIBRARY}) - install(TARGETS ${example} -- RUNTIME DESTINATION bin -+ RUNTIME DESTINATION ${CMAKE_INSTALL_DOCDIR}/examples - LIBRARY DESTINATION lib - ARCHIVE DESTINATION lib - ) diff --git a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_pybind.patch b/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_pybind.patch deleted file mode 100644 index ab1a24499306..000000000000 --- a/sci-chemistry/openbabel/files/openbabel-3.1.1_p2024-fix_pybind.patch +++ /dev/null @@ -1,25 +0,0 @@ ---- a/scripts/CMakeLists.txt -+++ b/scripts/CMakeLists.txt -@@ -69,13 +69,9 @@ - - if (DO_PYTHON_BINDINGS) - -- include_directories( -- ${PYTHON_INCLUDE_PATH} -- ) -- - if(RUN_SWIG) - add_custom_command(OUTPUT ${openbabel_SOURCE_DIR}/scripts/python/openbabel/openbabel-python.cpp ${openbabel_SOURCE_DIR}/scripts/python/openbabel/openbabel.py -- COMMAND ${SWIG_EXECUTABLE} -python -c++ ${doxygen_switch} -small -O -templatereduce -naturalvar -I${openbabel_SOURCE_DIR}/include -I${openbabel_BINARY_DIR}/include -o ${openbabel_SOURCE_DIR}/scripts/python/openbabel/openbabel-python.cpp ${eigen_define} -outdir ${openbabel_SOURCE_DIR}/scripts/python/openbabel ${openbabel_SOURCE_DIR}/scripts/openbabel-python.i -+ COMMAND ${SWIG_EXECUTABLE} -python -c++ ${doxygen_switch} -small -O -templatereduce -naturalvar -I${PYTHON_INCLUDE_PATH} -I${openbabel_SOURCE_DIR}/include -I${openbabel_BINARY_DIR}/include -o ${openbabel_SOURCE_DIR}/scripts/python/openbabel/openbabel-python.cpp ${eigen_define} -outdir ${openbabel_SOURCE_DIR}/scripts/python/openbabel ${openbabel_SOURCE_DIR}/scripts/openbabel-python.i - MAIN_DEPENDENCY openbabel-python.i - VERBATIM - ) -@@ -84,6 +80,7 @@ - configure_file(${openbabel_SOURCE_DIR}/scripts/python/openbabel/__init__.py.in - ${openbabel_SOURCE_DIR}/scripts/python/openbabel/__init__.py) - add_library(bindings_python MODULE ${openbabel_SOURCE_DIR}/scripts/python/openbabel/openbabel-python.cpp) -+ target_include_directories(bindings_python PRIVATE ${PYTHON_INCLUDE_PATH}) - - if(APPLE) - # Don't link against Python library on Mac diff --git a/sci-chemistry/openbabel/files/openbabel-python-r2.cmake b/sci-chemistry/openbabel/files/openbabel-python-r2.cmake deleted file mode 100644 index a16970deb0b1..000000000000 --- a/sci-chemistry/openbabel/files/openbabel-python-r2.cmake +++ /dev/null @@ -1,103 +0,0 @@ -# The following is a cmake fragment taken from scripts/CMakeLists.txt and -# edited for Gentoo python multibuild compatibility. - -if (DO_PYTHON_BINDINGS) - # Tags should be edited to reflect the active python implementation - set(EPYTHON @@EPYTHON@@) - set(PYTHON_INCLUDE_DIR @@PYTHON_INCLUDE_DIR@@) - set(PYTHON_LIBS @@PYTHON_LIBS@@) - set(PYTHON_SITEDIR @@PYTHON_SITEDIR@@) - - add_custom_command( - OUTPUT ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel-python.cpp ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py - COMMAND ${SWIG_EXECUTABLE} -python -c++ -small -O -templatereduce -naturalvar -I${PYTHON_INCLUDE_DIR} -I${CMAKE_SOURCE_DIR}/include -I${CMAKE_BINARY_DIR}/include -o ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel-python.cpp ${eigen_define} -outdir ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON} ${CMAKE_SOURCE_DIR}/scripts/openbabel-python.i - MAIN_DEPENDENCY openbabel-python.i - VERBATIM - ) - - configure_file(${CMAKE_SOURCE_DIR}/scripts/python/openbabel/__init__.py.in - ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/__init__.py) - - add_library(bindings_python_${EPYTHON} MODULE ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel-python.cpp) - target_include_directories(bindings_python_${EPYTHON} PRIVATE ${PYTHON_INCLUDE_DIR}) - target_link_libraries(bindings_python_${EPYTHON} ${PYTHON_LIBS} ${BABEL_LIBRARY}) - - set_target_properties(bindings_python_${EPYTHON} - PROPERTIES - OUTPUT_NAME _openbabel - LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel - PREFIX "" - SUFFIX .so ) - - add_dependencies(bindings_python_${EPYTHON} openbabel) - - install(TARGETS bindings_python_${EPYTHON} - LIBRARY DESTINATION ${PYTHON_SITEDIR}/openbabel - COMPONENT bindings_python) - install(FILES ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/__init__.py - DESTINATION ${PYTHON_SITEDIR}/openbabel - COMPONENT bindings_python) - install(FILES ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py - DESTINATION ${PYTHON_SITEDIR}/openbabel - COMPONENT bindings_python) - install(FILES ${CMAKE_SOURCE_DIR}/scripts/python/openbabel/pybel.py - DESTINATION ${PYTHON_SITEDIR}/openbabel - COMPONENT bindings_python) - - if (ENABLE_TESTS) - # Make sure all module files are together in the same directory for testing - add_custom_command(TARGET bindings_python_${EPYTHON} POST_BUILD - COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/ - COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/scripts/python/openbabel/pybel.py ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/) - set(TEST_SOURCE_DIR ${CMAKE_SOURCE_DIR}/test) - # define TESTDATADIR for tests that need input files - add_definitions(-DTESTDATADIR="${TEST_SOURCE_DIR}/files/") - # define FORMATDIR for location of format plugin binaries - set(FORMATDIR "${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/") - add_definitions(-DFORMATDIR="${FORMATDIR}/") - include_directories(${TEST_SOURCE_DIR}) - - # The macro is modified from cmake/modules/UsePythonTest.cmake - MACRO(ADD_PYTHON_TEST TESTNAME FILENAME) - GET_SOURCE_FILE_PROPERTY(loc ${FILENAME} LOCATION) - STRING(REGEX REPLACE ";" " " wo_semicolumn "${ARGN}") - FILE(WRITE ${CMAKE_BINARY_DIR}/test/${TESTNAME}.cmake -" - MESSAGE(\"${PYTHONPATH}\") - EXECUTE_PROCESS( - COMMAND ${EPYTHON} ${loc} ${wo_semicolumn} - RESULT_VARIABLE import_res - OUTPUT_VARIABLE import_output - ERROR_VARIABLE import_output - ) - - # Pass the output back to ctest - IF(import_output) - MESSAGE(\${import_output}) - ENDIF(import_output) - IF(import_res) - MESSAGE(SEND_ERROR \${import_res}) - ENDIF(import_res) -" - ) - ADD_TEST(${TESTNAME} ${CMAKE_COMMAND} -P ${CMAKE_BINARY_DIR}/test/${TESTNAME}.cmake) - ENDMACRO(ADD_PYTHON_TEST) - - set(pybindtests - bindings - _pybel - example - obconv_writers - cdjsonformat - pcjsonformat - roundtrip - ) - foreach(pybindtest ${pybindtests}) - ADD_PYTHON_TEST(pybindtest_${pybindtest}_${EPYTHON} ${TEST_SOURCE_DIR}/test${pybindtest}.py) - set_tests_properties(pybindtest_${pybindtest}_${EPYTHON} PROPERTIES - ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/scripts/${EPYTHON}:${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX};LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}/scripts/${EPYTHON}:${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}:\$ENV{LD_LIBRARY_PATH};BABEL_LIBDIR=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/;BABEL_DATADIR=${CMAKE_SOURCE_DIR}/data" - FAIL_REGULAR_EXPRESSION "ERROR;FAIL;Test failed" - ) - endforeach(pybindtest ${pybindtests}) - endif (ENABLE_TESTS) -endif(DO_PYTHON_BINDINGS) diff --git a/sci-chemistry/openbabel/metadata.xml b/sci-chemistry/openbabel/metadata.xml deleted file mode 100644 index a81d304be773..000000000000 --- a/sci-chemistry/openbabel/metadata.xml +++ /dev/null @@ -1,22 +0,0 @@ -<?xml version="1.0" encoding="UTF-8"?> -<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd"> -<pkgmetadata> - <maintainer type="project"> - <email>sci-chemistry@gentoo.org</email> - <name>Gentoo Chemistry Project</name> - </maintainer> - <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. - </longdescription> - <upstream> - <remote-id type="sourceforge">openbabel</remote-id> - <remote-id type="github">openbabel/openbabel</remote-id> - </upstream> - <use> - <flag name="inchi">Build support for IUPAC International Chemical Identifier format</flag> - <flag name="json">Build support for JSON formats (ChemDoodle, PubChem, etc...)</flag> - </use> -</pkgmetadata> diff --git a/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r2.ebuild b/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r2.ebuild deleted file mode 100644 index 1cc66e2c7a02..000000000000 --- a/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r2.ebuild +++ /dev/null @@ -1,238 +0,0 @@ -# Copyright 1999-2025 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{13..14} ) -WX_GTK_VER=3.2-gtk3 - -inherit cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg - -DESCRIPTION="Interconverts file formats used in molecular modeling" -HOMEPAGE="https://openbabel.org/ https://github.com/openbabel/openbabel/" - -if [[ "${PV}" == *9999* ]]; then - inherit git-r3 - EGIT_REPO_URI="https://github.com/openbabel/${PN}.git" -else - if [[ "${PV}" == *_p* ]]; then # eg., openbabel-3.1.1_p20210325 - # Set to commit hash - OPENBABEL_COMMIT="889c350feb179b43aa43985799910149d4eaa2bc" - SRC_URI="https://github.com/${PN}/${PN}/archive/${OPENBABEL_COMMIT}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${OPENBABEL_COMMIT}" - else - MY_P="${PN}-$(ver_rs 1- -)" - SRC_URI="https://github.com/${PN}/${PN}/archive/${MY_P}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${MY_P}" - fi - KEYWORDS="amd64 ~arm ~x86" -fi - -LICENSE="GPL-2" -# See src/CMakeLists.txt for LIBRARY_VERSION -SLOT="0/7.0.0" -IUSE="cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets" -RESTRICT="!test? ( test )" -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - test? ( inchi !minimal python? ( json png ) ${PYTHON_REQUIRED_USE} ) -" - -RDEPEND=" - dev-cpp/eigen:= - virtual/zlib:= - inchi? ( sci-libs/inchi ) - json? ( >=dev-libs/rapidjson-1.1.0 ) - !minimal? ( - dev-libs/libxml2:2= - png? ( x11-libs/cairo ) - ) - perl? ( dev-lang/perl:= ) - python? ( ${PYTHON_DEPS} ) - wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}=[X] ) -" -DEPEND="${RDEPEND}" -BDEPEND=" - dev-lang/perl - doc? ( - app-text/doxygen - dev-texlive/texlive-latex - ) - perl? ( dev-lang/swig ) - python? ( dev-lang/swig ) - test? ( dev-lang/python ) -" - -PATCHES=( - # Set include dir only for global implementation - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_pybind.patch - # prevent installation of examples in /usr/bin - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_examples.patch - # cmake4-compat - "${FILESDIR}"/${PN}-3.1.1_p2024-cmake4.patch -) - -pkg_pretend() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -pkg_setup() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -gen_python_bindings() { - mkdir -p scripts/${EPYTHON} || die - # Appends to scripts/CMakeLists.txt, substituting the correct tags, for - # each valid python implementation, - cat "${FILESDIR}"/${PN}-python-r2.cmake | \ - sed -e "s|@@EPYTHON@@|${EPYTHON}|" \ - -e "s|@@PYTHON_INCLUDE_DIR@@|$(python_get_includedir)|" \ - -e "s|@@PYTHON_LIBS@@|$(python_get_LIBS)|" \ - -e "s|@@PYTHON_SITEDIR@@|$(python_get_sitedir)|" >> \ - scripts/CMakeLists.txt || die -} - -src_prepare() { - cmake_src_prepare - - # Prevent bundled inchi as fallback - rm -r include/inchi || die - - use python && python_foreach_impl gen_python_bindings -} - -src_configure() { - if use json; then - # -DOPTIMIZE_NATIVE=ON also forces -march=native so use - # cpu_flags to set defines instead - use cpu_flags_x86_sse2 && append-cppflags -DRAPIDJSON_SSE2 - use cpu_flags_x86_sse4_2 && append-cppflags -DRAPIDJSON_SSE42 - use cpu_flags_arm_neon && append-cppflags -DRAPIDJSON_NEON - fi - - use wxwidgets && setup-wxwidgets - - use_bindings() { - (use perl || use python) && (echo 'yes' || die) || (echo 'no' || die) - } - - local mycmakeargs=( - $(cmake_use_find_package png Cairo) - $(cmake_use_find_package wxwidgets wxWidgets) - -DCMAKE_SKIP_RPATH=ON - -DBUILD_DOCS=$(usex doc) - -DBUILD_EXAMPLES=$(usex examples) - -DBUILD_GUI=$(usex wxwidgets) - -DENABLE_OPENMP=$(usex openmp) - -DENABLE_TESTS=$(usex test) - -DMINIMAL_BUILD=$(usex minimal) - # All three required to comply w/ useflag and prevent bundled lib - -DOPENBABEL_USE_SYSTEM_INCHI=$(usex inchi) - -DADD_INCHI_FORMAT=$(usex inchi) - -DWITH_INCHI=$(usex inchi) - -DOPTIMIZE_NATIVE=OFF - -DPERL_BINDINGS=$(usex perl) - -DPYTHON_BINDINGS=$(usex python) - -DRUN_SWIG=$(use_bindings) - -DWITH_COORDGEN=false - -DWITH_JSON=$(usex json) - # MEAPARSER - -DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON - -DWITH_MAEPARSER=false - ) - - if use perl; then - perl_set_version - mycmakeargs+=( - -DPERL_INSTDIR="${VENDOR_ARCH}" - ) - fi - - if use test; then - # Help cmake find the python interpreter when dev-lang/python-exec is built - # without native-symlinks support. - python_setup - mycmakeargs+=( - -DPYTHON_EXECUTABLE="${PYTHON}" - ) - fi - - cmake_src_configure -} - -src_test() { - local CMAKE_SKIP_TESTS=( - # https://github.com/openbabel/openbabel/issues/2766 - test_align_{4,5} - ) - ! use wxwidgets && CMAKE_SKIP_TESTS+=( - test_tautomer_{22,27} - ) - - # Weird deadlock causes system_load to keep rising - cmake_src_test -j1 -} - -openbabel-optimize() { - python_optimize "${D}/$(python_get_sitedir)"/openbabel || die -} - -src_install() { - cmake_src_install - - docinto html - for x in doc/*.html; do - [[ ${x} != doc/api*.html ]] && dodoc ${x} - done - - if use doc; then - cmake_src_install docs - docinto html/API - dodoc -r doc/API/html/. - fi - - if use examples; then - # no compression since we want ready-to-run scripts - docompress -x /usr/share/doc/${PF}/examples - - # ${PV} doesn't correspond to the internal BABEL_VERSION for - # live or patch release builds so we grep it - local babel_ver=$( - grep '^#define BABEL_VERSION' < \ - "${BUILD_DIR}"/include/openbabel/babelconfig.h | \ - cut -d \" -f 2 || die - ) - docinto examples/povray - dodoc doc/dioxin.* doc/README*.pov* - # Needed by the povray example - dosym ../../../../${PN}/${babel_ver}/babel_povray3.inc \ - /usr/share/doc/${PF}/examples/povray/babel31.inc - fi - - if use perl; then - docinto / - newdoc scripts/perl/Changes Changes.perl - newdoc scripts/perl/README README.perl - if use examples; then - docinto examples/perl - dodoc -r scripts/perl/examples/. - fi - fi - - if use python; then - python_foreach_impl openbabel-optimize - docinto / - newdoc scripts/python/README.rst README.python.rst - docinto html - dodoc scripts/python/*.html - if use examples; then - docinto examples/python - dodoc -r scripts/python/examples/. - fi - fi - - if use wxwidgets; then - make_desktop_entry obgui "Open Babel" ${PN} - newicon "${S}"/src/GUI/babel.xpm ${PN}.xpm - fi -} diff --git a/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r4.ebuild b/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r4.ebuild deleted file mode 100644 index e9ea539cde58..000000000000 --- a/sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r4.ebuild +++ /dev/null @@ -1,247 +0,0 @@ -# Copyright 1999-2026 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -GENTOO_DEPEND_ON_PERL="no" -PYTHON_COMPAT=( python3_{13..14} ) -WX_GTK_VER=3.2-gtk3 - -inherit cmake desktop flag-o-matic perl-module python-r1 toolchain-funcs wxwidgets xdg - -DESCRIPTION="Interconverts file formats used in molecular modeling" -HOMEPAGE="https://openbabel.org/ https://github.com/openbabel/openbabel/" - -if [[ "${PV}" == *9999* ]]; then - inherit git-r3 - EGIT_REPO_URI="https://github.com/openbabel/${PN}.git" -else - if [[ "${PV}" == *_p* ]]; then # eg., openbabel-3.1.1_p20210325 - # Set to commit hash - OPENBABEL_COMMIT="889c350feb179b43aa43985799910149d4eaa2bc" - SRC_URI="https://github.com/${PN}/${PN}/archive/${OPENBABEL_COMMIT}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${OPENBABEL_COMMIT}" - else - MY_P="${PN}-$(ver_rs 1- -)" - SRC_URI="https://github.com/${PN}/${PN}/archive/${MY_P}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${MY_P}" - fi - KEYWORDS="amd64 ~arm ~x86" -fi - -LICENSE="GPL-2" -# See src/CMakeLists.txt for LIBRARY_VERSION -SLOT="0/7.0.0" -IUSE="cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets ${GENTOO_PERL_USESTRING}" -RESTRICT="!test? ( test )" -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - test? ( inchi !minimal python? ( json png ) ${PYTHON_REQUIRED_USE} ) -" - -RDEPEND=" - dev-cpp/eigen:= - virtual/zlib:= - inchi? ( sci-libs/inchi ) - json? ( >=dev-libs/rapidjson-1.1.0 ) - !minimal? ( - dev-libs/libxml2:2= - png? ( x11-libs/cairo ) - ) - perl? ( - ${GENTOO_PERL_DEPSTRING} - dev-lang/perl:= - ) - python? ( ${PYTHON_DEPS} ) - wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}=[X] ) -" -DEPEND="${RDEPEND}" -BDEPEND=" - dev-lang/perl - doc? ( - app-text/doxygen - dev-texlive/texlive-latex - ) - perl? ( dev-lang/swig ) - python? ( dev-lang/swig ) - test? ( dev-lang/python ) -" - -PATCHES=( - # Set include dir only for global implementation - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_pybind.patch - # prevent installation of examples in /usr/bin - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_examples.patch - # cmake4-compat - "${FILESDIR}"/${PN}-3.1.1_p2024-cmake4.patch -) - -pkg_pretend() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -pkg_setup() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -gen_python_bindings() { - mkdir -p scripts/${EPYTHON} || die - # Appends to scripts/CMakeLists.txt, substituting the correct tags, for - # each valid python implementation, - cat "${FILESDIR}"/${PN}-python-r2.cmake | \ - sed -e "s|@@EPYTHON@@|${EPYTHON}|" \ - -e "s|@@PYTHON_INCLUDE_DIR@@|$(python_get_includedir)|" \ - -e "s|@@PYTHON_LIBS@@|$(python_get_LIBS)|" \ - -e "s|@@PYTHON_SITEDIR@@|$(python_get_sitedir)|" >> \ - scripts/CMakeLists.txt || die -} - -src_prepare() { - cmake_src_prepare - - # Prevent bundled inchi as fallback - rm -r include/inchi || die - - use python && python_foreach_impl gen_python_bindings -} - -src_configure() { - if use json; then - # -DOPTIMIZE_NATIVE=ON also forces -march=native so use - # cpu_flags to set defines instead - use cpu_flags_x86_sse2 && append-cppflags -DRAPIDJSON_SSE2 - use cpu_flags_x86_sse4_2 && append-cppflags -DRAPIDJSON_SSE42 - use cpu_flags_arm_neon && append-cppflags -DRAPIDJSON_NEON - fi - - use wxwidgets && setup-wxwidgets - - use_bindings() { - (use perl || use python) && (echo 'yes' || die) || (echo 'no' || die) - } - - local mycmakeargs=( - $(cmake_use_find_package png Cairo) - $(cmake_use_find_package wxwidgets wxWidgets) - -DCMAKE_SKIP_RPATH=ON - -DBUILD_DOCS=$(usex doc) - -DBUILD_EXAMPLES=$(usex examples) - -DBUILD_GUI=$(usex wxwidgets) - -DENABLE_OPENMP=$(usex openmp) - -DENABLE_TESTS=$(usex test) - -DMINIMAL_BUILD=$(usex minimal) - # All three required to comply w/ useflag and prevent bundled lib - -DOPENBABEL_USE_SYSTEM_INCHI=$(usex inchi) - -DADD_INCHI_FORMAT=$(usex inchi) - -DWITH_INCHI=$(usex inchi) - -DOPTIMIZE_NATIVE=OFF - -DPERL_BINDINGS=$(usex perl) - -DPYTHON_BINDINGS=$(usex python) - -DRUN_SWIG=$(use_bindings) - -DWITH_COORDGEN=false - -DWITH_JSON=$(usex json) - # MEAPARSER - -DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON - -DWITH_MAEPARSER=false - ) - - if use perl; then - perl_set_version - mycmakeargs+=( - -DPERL_INSTDIR="${VENDOR_ARCH}" - ) - fi - - if use test; then - # Help cmake find the python interpreter when dev-lang/python-exec is built - # without native-symlinks support. - python_setup - mycmakeargs+=( - -DPYTHON_EXECUTABLE="${PYTHON}" - ) - fi - - cmake_src_configure -} - -src_compile() { - # Avoid perl-module_src_compile (bug #963096) - cmake_src_compile -} - -src_test() { - local CMAKE_SKIP_TESTS=( - # https://github.com/openbabel/openbabel/issues/2766 - test_align_{4,5} - ) - ! use wxwidgets && CMAKE_SKIP_TESTS+=( - test_tautomer_{22,27} - ) - - # Weird deadlock causes system_load to keep rising - cmake_src_test -j1 -} - -openbabel-optimize() { - python_optimize "${D}/$(python_get_sitedir)"/openbabel || die -} - -src_install() { - cmake_src_install - - docinto html - for x in doc/*.html; do - [[ ${x} != doc/api*.html ]] && dodoc ${x} - done - - if use doc; then - cmake_src_install docs - docinto html/API - dodoc -r doc/API/html/. - fi - - if use examples; then - # no compression since we want ready-to-run scripts - docompress -x /usr/share/doc/${PF}/examples - - # ${PV} doesn't correspond to the internal BABEL_VERSION for - # live or patch release builds so we grep it - local babel_ver=$( - grep '^#define BABEL_VERSION' < \ - "${BUILD_DIR}"/include/openbabel/babelconfig.h | \ - cut -d \" -f 2 || die - ) - docinto examples/povray - dodoc doc/dioxin.* doc/README*.pov* - # Needed by the povray example - dosym ../../../../${PN}/${babel_ver}/babel_povray3.inc \ - /usr/share/doc/${PF}/examples/povray/babel31.inc - fi - - if use perl; then - docinto / - newdoc scripts/perl/Changes Changes.perl - newdoc scripts/perl/README README.perl - if use examples; then - docinto examples/perl - dodoc -r scripts/perl/examples/. - fi - fi - - if use python; then - python_foreach_impl openbabel-optimize - docinto / - newdoc scripts/python/README.rst README.python.rst - docinto html - dodoc scripts/python/*.html - if use examples; then - docinto examples/python - dodoc -r scripts/python/examples/. - fi - fi - - if use wxwidgets; then - make_desktop_entry --eapi9 obgui -n "Open Babel" -i ${PN} - newicon "${S}"/src/GUI/babel.xpm ${PN}.xpm - fi -} diff --git a/sci-chemistry/openbabel/openbabel-9999.ebuild b/sci-chemistry/openbabel/openbabel-9999.ebuild deleted file mode 100644 index 780e60991924..000000000000 --- a/sci-chemistry/openbabel/openbabel-9999.ebuild +++ /dev/null @@ -1,245 +0,0 @@ -# Copyright 1999-2025 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -GENTOO_DEPEND_ON_PERL="no" -PYTHON_COMPAT=( python3_{13..14} ) -WX_GTK_VER=3.2-gtk3 - -inherit cmake desktop flag-o-matic perl-module python-r1 toolchain-funcs wxwidgets xdg - -DESCRIPTION="Interconverts file formats used in molecular modeling" -HOMEPAGE="https://openbabel.org/ https://github.com/openbabel/openbabel/" - -if [[ "${PV}" == *9999* ]]; then - inherit git-r3 - EGIT_REPO_URI="https://github.com/openbabel/${PN}.git" -else - if [[ "${PV}" == *_p* ]]; then # eg., openbabel-3.1.1_p20210325 - # Set to commit hash - OPENBABEL_COMMIT="889c350feb179b43aa43985799910149d4eaa2bc" - SRC_URI="https://github.com/${PN}/${PN}/archive/${OPENBABEL_COMMIT}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${OPENBABEL_COMMIT}" - else - MY_P="${PN}-$(ver_rs 1- -)" - SRC_URI="https://github.com/${PN}/${PN}/archive/${MY_P}.tar.gz -> ${P}.tar.gz" - S="${WORKDIR}/${PN}-${MY_P}" - fi - KEYWORDS="~amd64 ~arm ~x86" -fi - -LICENSE="GPL-2" -# See src/CMakeLists.txt for LIBRARY_VERSION -SLOT="0/7.0.0" -IUSE="cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets ${GENTOO_PERL_USESTRING}" -RESTRICT="!test? ( test )" -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - test? ( inchi !minimal python? ( json png ) ${PYTHON_REQUIRED_USE} ) -" - -RDEPEND=" - dev-cpp/eigen:= - virtual/zlib:= - inchi? ( sci-libs/inchi ) - json? ( >=dev-libs/rapidjson-1.1.0 ) - !minimal? ( - dev-libs/libxml2:2= - png? ( x11-libs/cairo ) - ) - perl? ( - ${GENTOO_PERL_DEPSTRING} - dev-lang/perl:= - ) - python? ( ${PYTHON_DEPS} ) - wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}=[X] ) -" -DEPEND="${RDEPEND}" -BDEPEND=" - dev-lang/perl - doc? ( - app-text/doxygen - dev-texlive/texlive-latex - ) - perl? ( dev-lang/swig ) - python? ( dev-lang/swig ) - test? ( dev-lang/python ) -" - -PATCHES=( - # Set include dir only for global implementation - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_pybind.patch - # prevent installation of examples in /usr/bin - "${FILESDIR}"/${PN}-3.1.1_p2024-fix_examples.patch -) - -pkg_pretend() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -pkg_setup() { - [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp -} - -gen_python_bindings() { - mkdir -p scripts/${EPYTHON} || die - # Appends to scripts/CMakeLists.txt, substituting the correct tags, for - # each valid python implementation, - cat "${FILESDIR}"/${PN}-python-r2.cmake | \ - sed -e "s|@@EPYTHON@@|${EPYTHON}|" \ - -e "s|@@PYTHON_INCLUDE_DIR@@|$(python_get_includedir)|" \ - -e "s|@@PYTHON_LIBS@@|$(python_get_LIBS)|" \ - -e "s|@@PYTHON_SITEDIR@@|$(python_get_sitedir)|" >> \ - scripts/CMakeLists.txt || die -} - -src_prepare() { - cmake_src_prepare - - # Prevent bundled inchi as fallback - rm -r include/inchi || die - - use python && python_foreach_impl gen_python_bindings -} - -src_configure() { - if use json; then - # -DOPTIMIZE_NATIVE=ON also forces -march=native so use - # cpu_flags to set defines instead - use cpu_flags_x86_sse2 && append-cppflags -DRAPIDJSON_SSE2 - use cpu_flags_x86_sse4_2 && append-cppflags -DRAPIDJSON_SSE42 - use cpu_flags_arm_neon && append-cppflags -DRAPIDJSON_NEON - fi - - use wxwidgets && setup-wxwidgets - - use_bindings() { - (use perl || use python) && (echo 'yes' || die) || (echo 'no' || die) - } - - local mycmakeargs=( - $(cmake_use_find_package png Cairo) - $(cmake_use_find_package wxwidgets wxWidgets) - -DCMAKE_SKIP_RPATH=ON - -DBUILD_DOCS=$(usex doc) - -DBUILD_EXAMPLES=$(usex examples) - -DBUILD_GUI=$(usex wxwidgets) - -DENABLE_OPENMP=$(usex openmp) - -DENABLE_TESTS=$(usex test) - -DMINIMAL_BUILD=$(usex minimal) - # All three required to comply w/ useflag and prevent bundled lib - -DOPENBABEL_USE_SYSTEM_INCHI=$(usex inchi) - -DADD_INCHI_FORMAT=$(usex inchi) - -DWITH_INCHI=$(usex inchi) - -DOPTIMIZE_NATIVE=OFF - -DPERL_BINDINGS=$(usex perl) - -DPYTHON_BINDINGS=$(usex python) - -DRUN_SWIG=$(use_bindings) - -DWITH_COORDGEN=false - -DWITH_JSON=$(usex json) - # MEAPARSER - -DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON - -DWITH_MAEPARSER=false - ) - - if use perl; then - perl_set_version - mycmakeargs+=( - -DPERL_INSTDIR="${VENDOR_ARCH}" - ) - fi - - if use test; then - # Help cmake find the python interpreter when dev-lang/python-exec is built - # without native-symlinks support. - python_setup - mycmakeargs+=( - -DPYTHON_EXECUTABLE="${PYTHON}" - ) - fi - - cmake_src_configure -} - -src_compile() { - # Avoid perl-module_src_compile (bug #963096) - cmake_src_compile -} - -src_test() { - local CMAKE_SKIP_TESTS=( - # https://github.com/openbabel/openbabel/issues/2766 - test_align_{4,5} - ) - ! use wxwidgets && CMAKE_SKIP_TESTS+=( - test_tautomer_{22,27} - ) - - # Weird deadlock causes system_load to keep rising - cmake_src_test -j1 -} - -openbabel-optimize() { - python_optimize "${D}/$(python_get_sitedir)"/openbabel || die -} - -src_install() { - cmake_src_install - - docinto html - for x in doc/*.html; do - [[ ${x} != doc/api*.html ]] && dodoc ${x} - done - - if use doc; then - cmake_src_install docs - docinto html/API - dodoc -r doc/API/html/. - fi - - if use examples; then - # no compression since we want ready-to-run scripts - docompress -x /usr/share/doc/${PF}/examples - - # ${PV} doesn't correspond to the internal BABEL_VERSION for - # live or patch release builds so we grep it - local babel_ver=$( - grep '^#define BABEL_VERSION' < \ - "${BUILD_DIR}"/include/openbabel/babelconfig.h | \ - cut -d \" -f 2 || die - ) - docinto examples/povray - dodoc doc/dioxin.* doc/README*.pov* - # Needed by the povray example - dosym ../../../../${PN}/${babel_ver}/babel_povray3.inc \ - /usr/share/doc/${PF}/examples/povray/babel31.inc - fi - - if use perl; then - docinto / - newdoc scripts/perl/Changes Changes.perl - newdoc scripts/perl/README README.perl - if use examples; then - docinto examples/perl - dodoc -r scripts/perl/examples/. - fi - fi - - if use python; then - python_foreach_impl openbabel-optimize - docinto / - newdoc scripts/python/README.rst README.python.rst - docinto html - dodoc scripts/python/*.html - if use examples; then - docinto examples/python - dodoc -r scripts/python/examples/. - fi - fi - - if use wxwidgets; then - make_desktop_entry obgui "Open Babel" ${PN} - newicon "${S}"/src/GUI/babel.xpm ${PN}.xpm - fi -} |
