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sci-chemistry/openbabel: Drop 2.4.1-r2
Bug: https://bugs.gentoo.org/834115 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
This commit is contained in:
Andreas Sturmlechner
@@ -1,4 +1,3 @@
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DIST openbabel-2.4.1.tar.gz 11618304 BLAKE2B 8fc051e83add9be6456e281a109bd6bbec282a64ffc83309819f0decbf167b4914fbb7f1966e95e103f268754045b804317f51c79a952ace707c6af2bd320125 SHA512 427e678f0a911bd27b9a8a05e60b6e09f113be4e5dd180daaf80c28d06368e52b57501261755ab3817a8d31f2754db24471fd0ceee706d029386d6f70800e9c6
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DIST openbabel-3.1.1_p20210225.tar.gz 36674527 BLAKE2B bb82fc96f704249d211bd86c73de0cf4e7cfe5e2ba5c745aa8b4f6f19583837e2181d85101377810095f6b71fc3b91bf2f6f5636726fc8271c6905f1f8c59e7b SHA512 9ff7cb4acbfad7a9c5c8d0dd8930ac0390d0d0f2758d1a6120009071f47ffe718f92ad620d37f26f196babb14649c52b5eb7bb161c342ef36aec655e0a172de4
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DIST openbabel.jpg 12159 BLAKE2B b701df2b8c29df607dc2bd3997a282aa9a726d56c789ff2db900d33234dc691f76b6af12a4c9ccda4f09984504b863c40c39e8bf91058939996714ede2dd37c7 SHA512 998ea526c8c92f87dd203527fdd9f4e001357e951409209f41ab68e0b730fe12d97f9079c12ca289be413854ea2abcf8bb691ae5af823a6f29d6a590e1a3e2b0
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DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
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@@ -1,62 +0,0 @@
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diff --git a/CMakeLists.txt b/CMakeLists.txt
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index 2e66dd1..ef4f16b 100644
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--- a/CMakeLists.txt
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+++ b/CMakeLists.txt
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@@ -1,16 +1,11 @@
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# Please ensure that any changes remain compliant with 2.4.8.
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if(NOT EMBED_OPENBABEL)
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- cmake_minimum_required(VERSION 2.4.8)
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+ cmake_minimum_required(VERSION 2.4.10)
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endif()
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project(openbabel)
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set(CMAKE_MODULE_PATH ${openbabel_SOURCE_DIR}/cmake/modules)
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-# Allow loose loop constructs, i.e. no matching in if/else/endif or loops.
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-# Note that this is true by default in CMake 2.6.0, but we currently only
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-# require CMake 2.4.8 - remove this when the CMake requirement is bumped.
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-set(CMAKE_ALLOW_LOOSE_LOOP_CONSTRUCTS 1)
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-
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if(COMMAND cmake_policy)
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cmake_policy(SET CMP0003 NEW)
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cmake_policy(SET CMP0005 OLD) # add_definitions need updating to set to NEW
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@@ -20,7 +15,6 @@ if(COMMAND cmake_policy)
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endif()
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include (CheckCXXCompilerFlag)
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-include (MacroEnsureVersion)
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# Version numbering - should be bumped for each release
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# Note that for "beta" releases, we should start at x.90.0 -- we've
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@@ -238,16 +232,21 @@ check_type_size(clock_t CLOCK_T)
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# Get the GCC version - from KDE4 cmake files
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if(CMAKE_COMPILER_IS_GNUCXX)
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- exec_program(${CMAKE_C_COMPILER} ARGS --version OUTPUT_VARIABLE _gcc_version_info)
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- string(REGEX MATCH "[345]\\.[0-9]\\.[0-9]" _gcc_version "${_gcc_version_info}")
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- # gcc on mac just reports: "gcc (GCC) 3.3 20030304 ..." without the
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- # patch level, handle this here:
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- if (NOT _gcc_version)
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- string (REGEX REPLACE ".*\\(GCC\\).* ([34]\\.[0-9]) .*" "\\1.0" _gcc_version "${_gcc_version_info}")
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- endif ()
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- macro_ensure_version("4.0.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_0)
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- macro_ensure_version("4.1.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_1)
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- macro_ensure_version("4.2.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_2)
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+ if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.0.0))
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+ set(GCC_IS_NEWER_THAN_4_0 TRUE)
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+ else()
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+ set(GCC_IS_NEWER_THAN_4_0 FALSE)
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+ endif()
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+ if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.1.0))
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+ set(GCC_IS_NEWER_THAN_4_1 TRUE)
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+ else()
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+ set(GCC_IS_NEWER_THAN_4_1 FALSE)
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+ endif()
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+ if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.2.0))
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+ set(GCC_IS_NEWER_THAN_4_2 TRUE)
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+ else()
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+ set(GCC_IS_NEWER_THAN_4_2 FALSE)
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+ endif()
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endif()
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if(UNIX)
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@@ -1,104 +0,0 @@
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# The following is a cmake fragment taken from scripts/CMakeLists.txt and
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# edited for Gentoo python multibuild compatibility.
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if (PYTHON_BINDINGS)
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# Tags should be edited to reflect the active python implementation
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set(EPYTHON @@EPYTHON@@)
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set(PYTHON_INCUDE_DIR @@PYTHON_INCUDE_DIR@@)
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set(PYTHON_LIBS @@PYTHON_LIBS@@)
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set(PYTHON_SITEDIR @@PYTHON_SITEDIR@@)
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include_directories(${PYTHON_INCUDE_DIR})
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add_custom_command(
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OUTPUT ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel-python.cpp ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py
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COMMAND ${SWIG_EXECUTABLE} -python -c++ -small -O -templatereduce -naturalvar -I${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} ${CMAKE_SOURCE_DIR}/scripts/openbabel-python.i
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MAIN_DEPENDENCY openbabel-python.i
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VERBATIM
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)
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configure_file(${CMAKE_SOURCE_DIR}/scripts/python/openbabel/__init__.py.in
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${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/__init__.py)
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add_library(bindings_python_${EPYTHON} MODULE ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel-python.cpp)
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target_link_libraries(bindings_python_${EPYTHON} ${PYTHON_LIBS} ${BABEL_LIBRARY})
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set_target_properties(bindings_python_${EPYTHON}
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PROPERTIES
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OUTPUT_NAME _openbabel
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LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel
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PREFIX ""
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SUFFIX .so )
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add_dependencies(bindings_python_${EPYTHON} openbabel)
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install(TARGETS bindings_python_${EPYTHON}
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LIBRARY DESTINATION ${PYTHON_SITEDIR}/openbabel
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COMPONENT bindings_python)
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install(FILES ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/__init__.py
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DESTINATION ${PYTHON_SITEDIR}/openbabel
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COMPONENT bindings_python)
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install(FILES ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py
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DESTINATION ${PYTHON_SITEDIR}/openbabel
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COMPONENT bindings_python)
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install(FILES ${CMAKE_SOURCE_DIR}/scripts/python/openbabel/pybel.py
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DESTINATION ${PYTHON_SITEDIR}/openbabel
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COMPONENT bindings_python)
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if (ENABLE_TESTS)
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# Make sure all module files are together in the same directory for testing
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add_custom_command(TARGET bindings_python_${EPYTHON} POST_BUILD
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COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/scripts/${EPYTHON}/openbabel.py ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/
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COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/scripts/python/openbabel/pybel.py ${CMAKE_BINARY_DIR}/scripts/${EPYTHON}/openbabel/)
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set(TEST_SOURCE_DIR ${CMAKE_SOURCE_DIR}/test)
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# define TESTDATADIR for tests that need input files
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add_definitions(-DTESTDATADIR="${TEST_SOURCE_DIR}/files/")
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# define FORMATDIR for location of format plugin binaries
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set(FORMATDIR "${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/")
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add_definitions(-DFORMATDIR="${FORMATDIR}/")
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include_directories(${TEST_SOURCE_DIR})
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# The macro is modified from cmake/modules/UsePythonTest.cmake
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MACRO(ADD_PYTHON_TEST TESTNAME FILENAME)
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GET_SOURCE_FILE_PROPERTY(loc ${FILENAME} LOCATION)
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STRING(REGEX REPLACE ";" " " wo_semicolumn "${ARGN}")
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FILE(WRITE ${CMAKE_BINARY_DIR}/test/${TESTNAME}.cmake
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"
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MESSAGE(\"${PYTHONPATH}\")
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EXECUTE_PROCESS(
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COMMAND ${EPYTHON} ${loc} ${wo_semicolumn}
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RESULT_VARIABLE import_res
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OUTPUT_VARIABLE import_output
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ERROR_VARIABLE import_output
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)
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# Pass the output back to ctest
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IF(import_output)
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MESSAGE(\${import_output})
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ENDIF(import_output)
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IF(import_res)
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MESSAGE(SEND_ERROR \${import_res})
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ENDIF(import_res)
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"
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)
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ADD_TEST(${TESTNAME} ${CMAKE_COMMAND} -P ${CMAKE_BINARY_DIR}/test/${TESTNAME}.cmake)
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ENDMACRO(ADD_PYTHON_TEST)
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set(pybindtests
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bindings
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_pybel
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example
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obconv_writers
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cdjsonformat
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pcjsonformat
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roundtrip
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)
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foreach(pybindtest ${pybindtests})
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ADD_PYTHON_TEST(pybindtest_${pybindtest}_${EPYTHON} ${TEST_SOURCE_DIR}/test${pybindtest}.py)
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set_tests_properties(pybindtest_${pybindtest}_${EPYTHON} PROPERTIES
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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"
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FAIL_REGULAR_EXPRESSION "ERROR;FAIL;Test failed"
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)
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endforeach(pybindtest ${pybindtests})
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endif (ENABLE_TESTS)
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endif(PYTHON_BINDINGS)
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@@ -1,101 +0,0 @@
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# Copyright 1999-2021 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=7
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WX_GTK_VER="3.0-gtk3"
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inherit cmake-utils desktop optfeature toolchain-funcs wxwidgets
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DESCRIPTION="Interconverts file formats used in molecular modeling"
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HOMEPAGE="http://openbabel.org/wiki/Main_Page"
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SRC_URI="
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mirror://sourceforge/openbabel/${P}.tar.gz
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https://openbabel.org/docs/dev/_static/babel130.png -> ${PN}.png
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"
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# See src/CMakeLists.txt for LIBRARY_VERSION
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SLOT="0/5.0.0"
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LICENSE="GPL-2"
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KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos"
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IUSE="doc openmp test wxwidgets"
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RESTRICT="!test? ( test )"
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RDEPEND="
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dev-cpp/eigen:3
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dev-libs/libxml2:2
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sci-libs/inchi
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sys-libs/zlib
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wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}[X] )
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"
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DEPEND="${RDEPEND}"
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BDEPEND="
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>=dev-util/cmake-2.4.10
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doc? ( app-doc/doxygen )
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"
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DOCS=( AUTHORS NEWS.md README.md THANKS doc/dioxin.{inc,mol2} doc/README.{dioxin.pov,povray} )
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PATCHES=(
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"${FILESDIR}"/${P}-gcc10.patch
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)
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pkg_setup() {
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if use openmp; then
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if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
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ewarn "OpenMP is not available in your current selected gcc"
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die "need openmp capable gcc"
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fi
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FORTRAN_NEED_OPENMP=1
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fi
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}
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src_prepare() {
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sed \
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-e '/__GNUC__/s:== 4:>= 4:g' \
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-i include/openbabel/shared_ptr.h || die
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cmake-utils_src_prepare
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}
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src_configure() {
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use wxwidgets && setup-wxwidgets
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local mycmakeargs=(
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-DOPENBABEL_USE_SYSTEM_INCHI=ON
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-DENABLE_OPENMP=$(usex openmp)
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-DBUILD_GUI=$(usex wxwidgets)
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)
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cmake-utils_src_configure
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}
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src_install() {
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docinto html
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dodoc doc/{*.html,*.png}
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if use doc ; then
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docinto html/API
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dodoc -r doc/API/html/*
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fi
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make_desktop_entry obgui "Open Babel" "${PN}"
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doicon "${DISTDIR}/${PN}.png"
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cmake-utils_src_install
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}
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src_test() {
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local mycmakeargs=(
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-DOPENBABEL_USE_SYSTEM_INCHI=ON
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-DPYTHON_EXECUTABLE=false
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-DOPENMP=$(usex openmp)
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-DBUILD_GUI=$(usex wxwidgets)
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-DTESTS=$(usex test)
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)
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cmake-utils_src_configure
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cmake-utils_src_compile
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cmake-utils_src_test -E py
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}
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pkg_postinst() {
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optfeature "perl support" sci-chemistry/openbabel-perl
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optfeature "python support" sci-chemistry/openbabel-python
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}
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