rdkit_library(GraphMol Atom.cpp QueryAtom.cpp QueryBond.cpp Bond.cpp MolOps.cpp FindRings.cpp ROMol.cpp RWMol.cpp PeriodicTable.cpp atomic_data.cpp QueryOps.cpp MolPickler.cpp Canon.cpp AtomIterators.cpp BondIterators.cpp Aromaticity.cpp Kekulize.cpp ConjugHybrid.cpp AddHs.cpp Matrices.cpp Chirality.cpp RingInfo.cpp Conformer.cpp Renumber.cpp AdjustQuery.cpp Resonance.cpp StereoGroup.cpp new_canon.cpp SubstanceGroup.cpp FindStereo.cpp MonomerInfo.cpp NontetrahedralStereo.cpp Atropisomers.cpp WedgeBonds.cpp MolProps.cpp SHARED LINK_LIBRARIES RDGeometryLib RDGeneral) target_compile_definitions(GraphMol PRIVATE RDKIT_GRAPHMOL_BUILD) if (RDK_USE_URF) target_link_libraries(GraphMol PUBLIC ${RDK_URF_LIBS}) if (RDK_INSTALL_STATIC_LIBS AND NOT RDK_BUILD_STATIC_LIBS_ONLY) target_link_libraries(GraphMol_static PUBLIC ${RDK_URF_LIBS}_static) endif () endif () rdkit_headers(Atom.h atomic_data.h AtomIterators.h Atropisomers.h Bond.h BondIterators.h Canon.h Chirality.h Conformer.h details.h GraphMol.h MolOps.h MolPickler.h PeriodicTable.h QueryAtom.h QueryBond.h QueryOps.h RDKitBase.h RDKitQueries.h Resonance.h RingInfo.h Rings.h ROMol.h RWMol.h SanitException.h SubstanceGroup.h StereoGroup.h MonomerInfo.h new_canon.h MolBundle.h DEST GraphMol) add_subdirectory(SmilesParse) add_subdirectory(Depictor) add_subdirectory(MarvinParse) add_subdirectory(FileParsers) add_subdirectory(Substruct) add_subdirectory(GenericGroups) add_subdirectory(ChemReactions) add_subdirectory(ChemTransforms) add_subdirectory(TautomerQuery) add_subdirectory(Subgraphs) add_subdirectory(FilterCatalog) add_subdirectory(FragCatalog) add_subdirectory(Descriptors) add_subdirectory(Fingerprints) add_subdirectory(PartialCharges) add_subdirectory(MolTransforms) add_subdirectory(ForceFieldHelpers) add_subdirectory(DistGeomHelpers) add_subdirectory(MolAlign) add_subdirectory(MolChemicalFeatures) add_subdirectory(ShapeHelpers) add_subdirectory(MolCatalog) add_subdirectory(MolDraw2D) add_subdirectory(FMCS) add_subdirectory(MolHash) add_subdirectory(MMPA) add_subdirectory(RascalMCES) add_subdirectory(SynthonSpaceSearch) add_subdirectory(EnumerateStereoisomers) add_subdirectory(CIPLabeler) add_subdirectory(Deprotect) if (RDK_BUILD_STRUCTCHECKER_SUPPORT) add_subdirectory(StructChecker) endif () add_subdirectory(ReducedGraphs) add_subdirectory(Trajectory) add_subdirectory(SubstructLibrary) add_subdirectory(RGroupDecomposition) if (RDK_BUILD_XYZ2MOL_SUPPORT) add_subdirectory(DetermineBonds) endif () if (RDK_BUILD_MOLINTERCHANGE_SUPPORT) add_subdirectory(MolInterchange) endif (RDK_BUILD_MOLINTERCHANGE_SUPPORT) if (RDK_BUILD_SLN_SUPPORT AND NOT CMAKE_COMPILER_IS_CLANG) if (CMAKE_COMPILER_IS_GNUCC AND CMAKE_CXX_COMPILER_VERSION VERSION_LESS_EQUAL 4.8) message("Skipping SLN build with gcc version <= 4.8") else () add_subdirectory(SLNParse) endif () endif () if (RDK_BUILD_PYTHON_WRAPPERS) add_subdirectory(Wrap) endif () add_subdirectory(MolStandardize) add_subdirectory(ScaffoldNetwork) add_subdirectory(MolEnumerator) add_subdirectory(Abbreviations) add_subdirectory(GeneralizedSubstruct) add_subdirectory(MolProcessing) add_subdirectory(MolInteractionFields) # Disabled by Debian due to timeouts on riscv64 # rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol # SubstructMatch ForceFieldHelpers ForceField) rdkit_test(graphmolcpTest cptest.cpp LINK_LIBRARIES SmilesParse GraphMol) rdkit_test(graphmolqueryTest querytest.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol) rdkit_test(graphmolMolOpsTest molopstest.cpp LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol) rdkit_test(graphmoltestChirality testChirality.cpp LINK_LIBRARIES CIPLabeler SmilesParse FileParsers GraphMol) rdkit_test(graphmoltestPickler testPickler.cpp LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol) rdkit_test(graphmoltestPicklerGlobalSetting testPicklerGlobalSettings.cpp LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol) rdkit_test(graphmolIterTest itertest.cpp LINK_LIBRARIES SmilesParse GraphMol) rdkit_test(hanoiTest hanoitest.cpp LINK_LIBRARIES SubstructMatch SmilesParse FileParsers GraphMol ) rdkit_test(graphmolMemTest1 memtest1.cpp LINK_LIBRARIES SmilesParse GraphMol) rdkit_test(resMolSupplierTest resMolSupplierTest.cpp LINK_LIBRARIES SmilesParse GraphMol SubstructMatch FileParsers) rdkit_test(molBundleTest testMolBundle.cpp LINK_LIBRARIES SmilesParse GraphMol SubstructMatch FileParsers) rdkit_test(testSGroup testSGroup.cpp LINK_LIBRARIES FileParsers GraphMol) rdkit_test(test-valgrind test-valgrind.cpp LINK_LIBRARIES SmilesParse FileParsers GraphMol) rdkit_catch_test(graphmolTestsCatch catch_graphmol.cpp LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol) rdkit_catch_test(graphmolOrganometallicsCatch catch_organometallics.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol) rdkit_catch_test(graphmolSGroupCatch catch_sgroups.cpp LINK_LIBRARIES SmilesParse FileParsers GraphMol) rdkit_catch_test(graphmolAdjustQueryCatch catch_adjustquery.cpp LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol) rdkit_catch_test(chiralityTestsCatch catch_chirality.cpp LINK_LIBRARIES CIPLabeler FileParsers SmilesParse GraphMol) rdkit_catch_test(canonTestsCatch catch_canon.cpp LINK_LIBRARIES CIPLabeler FileParsers SmilesParse GraphMol) rdkit_catch_test(moliteratorTestsCatch catch_moliterators.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol) rdkit_catch_test(queryTestsCatch catch_queries.cpp LINK_LIBRARIES SmilesParse GraphMol) rdkit_catch_test(molbundleTestsCatch catch_molbundle.cpp LINK_LIBRARIES SmilesParse GraphMol) rdkit_catch_test(pickleTestsCatch catch_pickles.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol) rdkit_catch_test(tableTestsCatch catch_periodictable.cpp LINK_LIBRARIES GraphMol) rdkit_catch_test(molopsTestsCatch catch_molops.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol)