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https://github.com/rdkit/rdkit.git
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1891a26fe3
* does not work * basically works (at least it seems to) needs more tesing and verification * optimization and improved tests passes local tests * response to review
27 lines
1.1 KiB
CMake
27 lines
1.1 KiB
CMake
# moved back library build directives here
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rdkit_library(ForceFieldHelpers UFF/AtomTyper.cpp UFF/Builder.cpp
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MMFF/AtomTyper.cpp MMFF/Builder.cpp CrystalFF/TorsionAngleM6.cpp
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CrystalFF/TorsionPreferences.cpp CrystalFF/TorsionAngleContribs.cpp
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LINK_LIBRARIES SmilesParse SubstructMatch ForceField)
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target_compile_definitions(ForceFieldHelpers PRIVATE RDKIT_FORCEFIELDHELPERS_BUILD)
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rdkit_headers(FFConvenience.h DEST GraphMol/ForceFieldHelpers)
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rdkit_headers(UFF/AtomTyper.h
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UFF/Builder.h UFF/UFF.h DEST GraphMol/ForceFieldHelpers/UFF)
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rdkit_headers(MMFF/AtomTyper.h
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MMFF/Builder.h MMFF/MMFF.h DEST GraphMol/ForceFieldHelpers/MMFF)
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rdkit_headers(CrystalFF/TorsionAngleM6.h CrystalFF/TorsionPreferences.h
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CrystalFF/TorsionAngleContribs.h
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DEST GraphMol/ForceFieldHelpers/CrystalFF)
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rdkit_catch_test(forceFieldHelpersCatch catch_tests.cpp
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LINK_LIBRARIES MolTransforms ForceFieldHelpers SmilesParse FileParsers ForceField )
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add_subdirectory(MMFF)
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add_subdirectory(UFF)
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add_subdirectory(CrystalFF)
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if(RDK_BUILD_PYTHON_WRAPPERS)
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add_subdirectory(Wrap)
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endif()
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