mirror of
https://github.com/rdkit/rdkit.git
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45bf58754a
* change minimal cmake version to a consistent 3.5 * progress towards a cleanup * get the basic python deps working * two more libs * another round of changes all tests pass at this point * next round of changes all tests pass at this point * close to done all tests pass * very close * almost done * shift the RDBoost dependencies around a bit * remove an extraneous python linkage this is trying to get the mac builds working again * Only link to python if it was built shared (#3091) * change in response to review Co-Authored-By: Ric <ricrogz@users.noreply.github.com> * move that suppression of the maybe-uninitialized warning to BoostStartInclude.h Co-authored-by: Brian Kelley <fustigator@gmail.com> Co-authored-by: Ric <ricrogz@users.noreply.github.com>
84 lines
3.2 KiB
CMake
84 lines
3.2 KiB
CMake
remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
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rdkit_python_extension(rdchem
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rdchem.cpp Table.cpp Atom.cpp Bond.cpp Mol.cpp
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Conformer.cpp RingInfo.cpp EditableMol.cpp MonomerInfo.cpp
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ResonanceMolSupplier.cpp MolBundle.cpp StereoGroup.cpp SubstanceGroup.cpp
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DEST Chem
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LINK_LIBRARIES
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SmilesParse ChemTransforms SubstructMatch GraphMol)
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rdkit_python_extension(rdmolops
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rdmolops.cpp MolOps.cpp
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DEST Chem
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LINK_LIBRARIES
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ChemReactions MolDraw2D Depictor
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FileParsers SubstructMatch Fingerprints ChemTransforms
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Subgraphs SmilesParse MolTransforms GraphMol )
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rdkit_python_extension(rdqueries
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rdqueries.cpp Queries.cpp
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DEST Chem
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LINK_LIBRARIES
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GraphMol )
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if(RDK_BUILD_COORDGEN_SUPPORT)
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set (maesupplier MaeMolSupplier.cpp)
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include_directories(${maeparser_INCLUDE_DIRS})
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endif()
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if(RDK_BUILD_COMPRESSED_SUPPLIERS)
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find_package(Boost 1.56.0 COMPONENTS iostreams REQUIRED)
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if (NOT Boost_USE_STATIC_LIBS)
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add_definitions("-DBOOST_IOSTREAMS_DYN_LINK")
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endif()
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set(rdmolfiles_sources rdmolfiles.cpp
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ForwardSDMolSupplier.cpp ${maesupplier}
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SDMolSupplier.cpp TDTMolSupplier.cpp
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SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp
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TDTWriter.cpp CompressedSDMolSupplier.cpp
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PDBWriter.cpp )
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else(RDK_BUILD_COMPRESSED_SUPPLIERS)
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set(rdmolfiles_sources rdmolfiles.cpp
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ForwardSDMolSupplier.cpp ${maesupplier}
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SDMolSupplier.cpp TDTMolSupplier.cpp
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SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp
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TDTWriter.cpp
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PDBWriter.cpp )
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endif(RDK_BUILD_COMPRESSED_SUPPLIERS)
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rdkit_python_extension(rdmolfiles
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${rdmolfiles_sources}
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DEST Chem
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LINK_LIBRARIES SubstructMatch
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SmilesParse FileParsers GraphMol
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RDGeometryLib RDGeneral RDBoost)
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rdkit_python_extension(rdtrajectory
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Trajectory.cpp rdTrajectory.cpp
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DEST Chem
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LINK_LIBRARIES Trajectory RDGeometryLib RDGeneral RDBoost GraphMol)
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if(RDK_BUILD_COMPRESSED_SUPPLIERS)
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set_target_properties(rdmolfiles PROPERTIES DEFINE_SYMBOL SUPPORT_COMPRESSED_SUPPLIERS )
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endif(RDK_BUILD_COMPRESSED_SUPPLIERS)
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add_pytest(pyGraphMolWrap
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${CMAKE_CURRENT_SOURCE_DIR}/rough_test.py)
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add_pytest(pyTestConformerWrap
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${CMAKE_CURRENT_SOURCE_DIR}/testConformer.py)
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add_pytest(pyTestTrajectory
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${CMAKE_CURRENT_SOURCE_DIR}/testTrajectory.py)
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add_pytest(pyTestSGroups
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${CMAKE_CURRENT_SOURCE_DIR}/testSGroups.py)
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if (RDK_TEST_MULTITHREADED)
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add_pytest(pyTestThreads
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${CMAKE_CURRENT_SOURCE_DIR}/testThreads.py)
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endif (RDK_TEST_MULTITHREADED)
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add_pytest(pyTestPropertyLists
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${CMAKE_CURRENT_SOURCE_DIR}/testPropertyLists.py)
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