mirror of
https://github.com/macports/macports-ports.git
synced 2026-07-12 18:20:25 -07:00
107 lines
4.2 KiB
Tcl
107 lines
4.2 KiB
Tcl
# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
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PortSystem 1.0
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PortGroup boost 1.0
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PortGroup cmake 1.1
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PortGroup github 1.0
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PortGroup legacysupport 1.1
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PortGroup conflicts_build 1.0
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github.setup rdkit rdkit 2026_03_3 Release_
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github.tarball_from archive
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version [join [split ${github.version} _] .]
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revision 0
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categories science chemistry
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license BSD
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maintainers {reneeotten @reneeotten} openmaintainer
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description RDKit: Open-Source Cheminformatics Software
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long_description RDKit is a collection of cheminformatics and \
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machine-learning software written in C++ and Python.
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homepage https://www.rdkit.org/
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checksums rmd160 29b68bf8edc38bbb3c716ef618bf2fde0015c884 \
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sha256 21e22e5e6b3a313527256fbde41c757f22d834b19caf2908e3c2dd11061e1fea \
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size 83261886
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# some of the vendored dependencies in the "External" directory fail to build
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# when the "boost" port is installed; likely because they pick up libraries in ${prefix}/lib
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# instead of the intended ones in ${prefix}/libexec/boost/${boost.version}
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conflicts_build boost
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boost.version 1.88
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boost.require_numpy yes
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# error: '~path' is unavailable: introduced in macOS 10.15
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legacysupport.use_mp_libcxx yes
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legacysupport.newest_darwin_requires_legacy 19
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compiler.c_standard 1999
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compiler.cxx_standard 2020
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set py_ver 3.14
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set py_ver_nodot [string map {. {}} ${py_ver}]
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set mypydir ${frameworks_dir}/Python.framework/Versions/${py_ver}
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# avoid errors for 'TARGET_OS_*' is not defined in External/ChemDraw
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# upstream patched only the case for AppleClang as compiler, older OSes use
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# macports-clang-XY still experience the issue
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patchfiles-append patch-ChemDraw-CMakeLists.txt
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patchfiles-append vector.patch
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depends_build-append \
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path:bin/pkg-config:pkgconfig
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# during the build a git repository is cloned, on older systems this
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# fails with an "SSL certificate problem: Invalid certificate chain"
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if {${os.platform} eq "darwin" && ${os.major} < 15} {
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depends_build-append \
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path:bin/git:git
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}
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depends_lib-append port:catch2 \
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port:coordgen \
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port:maeparser \
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path:share/pkgconfig/eigen3.pc:eigen3 \
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path:lib/pkgconfig/cairo.pc:cairo \
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port:freetype \
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path:lib/pkgconfig/RapidJSON.pc:rapidjson \
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port:sqlite3 \
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port:python${py_ver_nodot} \
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port:py${py_ver_nodot}-numpy \
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port:py${py_ver_nodot}-cairo
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configure.args-append \
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-DRDK_INSTALL_INTREE=OFF \
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-DRDK_BUILD_CPP_TESTS=OFF \
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-DRDK_INSTALL_STATIC_LIBS=OFF \
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-DRDK_BUILD_CAIRO_SUPPORT=ON \
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-DCatch2_DIR=${prefix}/include/catch2 \
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-DRDK_BUILD_PYTHON_WRAPPERS=ON \
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-DPython3_EXECUTABLE=${mypydir}/bin/python${py_ver} \
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-DPython3_NumPy_INCLUDE_DIRS="${mypydir}/lib/python${py_ver}/site-packages/numpy/_core/include" \
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-DCMAKE_REQUIRE_FIND_PACKAGE_coordgen=ON \
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-DCMAKE_REQUIRE_FIND_PACKAGE_maeparser=ON \
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-DRDK_BUILD_INCHI_SUPPORT=ON \
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-DRDK_BUILD_AVALON_SUPPORT=ON \
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-DRDK_BUILD_YAEHMOP_SUPPORT=ON \
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-DRDK_BUILD_FREESASA_SUPPORT=ON \
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-DRDK_BUILD_COMPRESSED_SUPPLIERS=ON \
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-DRDK_INSTALL_PYTHON_TESTS=OFF \
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-DPYTHON_INSTDIR=${mypydir}/lib/python${py_ver}/site-packages
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# https://trac.macports.org/ticket/73463
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if {[string match *gcc* ${configure.compiler}] && ${configure.build_arch} in [list arm i386 ppc]} {
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configure.ldflags-append \
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-latomic
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}
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post-destroot {
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# conflicts with the file isntalled by the "expat" port
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file delete ${destroot}${prefix}/lib/libexpat.a
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}
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github.livecheck.regex {([0-9_]+)}
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