diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile index b70e9f81c9b2..c44922819a01 100644 --- a/science/rdkit/Makefile +++ b/science/rdkit/Makefile @@ -1,94 +1,93 @@ PORTNAME= rdkit DISTVERSIONPREFIX= Release_ DISTVERSION= 2024_03_6 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MASTER_SITES= LOCAL/yuri/:font # unstable, changing font file: https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font DISTFILES= ComicNeue-Regular.ttf:font DIST_SUBDIR= ${PORTNAME}-${PORTVERSION} EXTRACT_ONLY= ${DISTFILES:C/:.*//:N*.ttf} MAINTAINER= yuri@FreeBSD.org COMMENT= Collection of cheminformatics and machine-learning software WWW= https://www.rdkit.org/ LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/license.txt -BROKEN_i386= non-constant-expression cannot be narrowed from type 'unsigned int' to 'npy_intp', see https://github.com/rdkit/rdkit/issues/4934 BROKEN_FreeBSD_15_aarch64= clang-17 crashes, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=272652 BROKEN_FreeBSD_15_amd64= clang-17 crashes, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=272652 BUILD_DEPENDS= catch>0:devel/catch \ flex:textproc/flex \ rapidjson>=0:devel/rapidjson LIB_DEPENDS= libboost_system.so:devel/boost-libs \ libcoordgen.so:science/coordgenlibs \ libfreetype.so:print/freetype2 \ libmaeparser.so:science/maeparser USES= bison:build cmake:testing compiler:c++11-lang eigen:3 python USE_GITHUB= yes GH_TUPLE= rareylab:RingDecomposerLib:v1.1.3_rdkit:RingDecomposerLib/External/RingFamilies/RingDecomposerLib USE_LDCONFIG= yes CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \ RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC \ RDK_OPTIMIZE_NATIVE \ RDK_BUILD_CPP_TESTS CMAKE_ARGS= -DCATCH_DIR=${LOCALBASE}/include/catch2 CFLAGS+= -D_GNU_SOURCE CXXFLAGS+= -D_GNU_SOURCE DATADIR= ${PREFIX}/share/RDKit DOCSDIR= ${PREFIX}/share/doc/RDKit # RDBASE=${STAGEDIR}${PREFIX} TEST_ENV= ${MAKE_ENV} \ RDBASE=${WRKSRC} \ PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \ LD_LIBRARY_PATH=${STAGEDIR}${PREFIX}/lib PLIST_SUB= SHLIB_VER=${PORTVERSION} OPTIONS_DEFINE= DOCS PGSQL PYTHON OPTIONS_DEFAULT= PYTHON OPTIONS_SUB= yes DOCS_CMAKE_BOOL= FREEBSD_INSTALL_DOCS DOCS_CMAKE_ON= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR} PGSQL_USES= pgsql PGSQL_DESC= Build the PostgreSQL cartridge PGSQL_CMAKE_BOOL= RDK_BUILD_PGSQL PYTHON_CMAKE_BOOL= RDK_BUILD_PYTHON_WRAPPERS PYTHON_BUILD_DEPENDS= ${PYNUMPY} PYTHON_LIB_DEPENDS= ${PY_BOOST} PYTHON_RUN_DEPENDS= ${PYNUMPY} \ ${PY_PILLOW} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}reportlab>0:print/py-reportlab@${PY_FLAVOR} PORTDOCS= * .include -.if ${ARCH} == aarch64 || ${ARCH} == amd64 || ${ARCH:Marm*} || ${ARCH} == i386 || ${ARCH:Mmips*el*} || ${ARCH} == riscv -PLIST_SUB+= LITTLE_ENDIAN="" -.else +.if ${ARCH} == powerpc || ${ARCH} == powerpc64 PLIST_SUB+= LITTLE_ENDIAN="@comment " +.else +PLIST_SUB+= LITTLE_ENDIAN="" .endif post-extract: @${MKDIR} ${WRKSRC}/External/rapidjson-1.1.0 @cd ${WRKSRC}/External/rapidjson-1.1.0 && ${LN} -s ${LOCALBASE}/include/rapidjson include @cd ${WRKSRC}/Data/Fonts && ${CP} ${DISTDIR}/${DIST_SUBDIR}/ComicNeue-Regular.ttf . post-install-PGSQL-on: @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/postgresql/rdkit.so # many tests fail, see https://github.com/rdkit/rdkit/issues/7779 .include diff --git a/science/rdkit/pkg-plist b/science/rdkit/pkg-plist index eabbfffc1000..4fb73662f59c 100644 --- a/science/rdkit/pkg-plist +++ b/science/rdkit/pkg-plist @@ -1,1152 +1,1152 @@ include/rdkit/Catalogs/Catalog.h include/rdkit/Catalogs/CatalogEntry.h include/rdkit/Catalogs/CatalogParams.h include/rdkit/ChemicalFeatures/ChemicalFeature.h include/rdkit/ChemicalFeatures/FreeChemicalFeature.h include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h include/rdkit/DataStructs/BitOps.h include/rdkit/DataStructs/BitVect.h include/rdkit/DataStructs/BitVectUtils.h include/rdkit/DataStructs/BitVects.h include/rdkit/DataStructs/DatastructsException.h include/rdkit/DataStructs/DatastructsStreamOps.h include/rdkit/DataStructs/DiscreteDistMat.h include/rdkit/DataStructs/DiscreteValueVect.h include/rdkit/DataStructs/ExplicitBitVect.h include/rdkit/DataStructs/FPBReader.h include/rdkit/DataStructs/MultiFPBReader.h include/rdkit/DataStructs/SparseBitVect.h include/rdkit/DataStructs/SparseIntVect.h include/rdkit/DataStructs/base64.h include/rdkit/DistGeom/BoundsMatrix.h include/rdkit/DistGeom/ChiralSet.h include/rdkit/DistGeom/ChiralViolationContrib.h include/rdkit/DistGeom/ChiralViolationContribs.h include/rdkit/DistGeom/DistGeomUtils.h include/rdkit/DistGeom/DistViolationContrib.h include/rdkit/DistGeom/DistViolationContribs.h include/rdkit/DistGeom/FourthDimContrib.h include/rdkit/DistGeom/FourthDimContribs.h include/rdkit/DistGeom/TriangleSmooth.h include/rdkit/Features/Feature.h include/rdkit/ForceField/AngleConstraint.h include/rdkit/ForceField/AngleConstraints.h include/rdkit/ForceField/Contrib.h include/rdkit/ForceField/DistanceConstraint.h include/rdkit/ForceField/DistanceConstraints.h include/rdkit/ForceField/ForceField.h include/rdkit/ForceField/MMFF/AngleBend.h include/rdkit/ForceField/MMFF/AngleConstraint.h include/rdkit/ForceField/MMFF/BondStretch.h include/rdkit/ForceField/MMFF/Contribs.h include/rdkit/ForceField/MMFF/DistanceConstraint.h include/rdkit/ForceField/MMFF/Nonbonded.h include/rdkit/ForceField/MMFF/OopBend.h include/rdkit/ForceField/MMFF/Params.h include/rdkit/ForceField/MMFF/PositionConstraint.h include/rdkit/ForceField/MMFF/StretchBend.h include/rdkit/ForceField/MMFF/TorsionAngle.h include/rdkit/ForceField/MMFF/TorsionConstraint.h include/rdkit/ForceField/PositionConstraint.h include/rdkit/ForceField/TorsionConstraint.h include/rdkit/ForceField/UFF/AngleBend.h include/rdkit/ForceField/UFF/AngleConstraint.h include/rdkit/ForceField/UFF/BondStretch.h include/rdkit/ForceField/UFF/Contribs.h include/rdkit/ForceField/UFF/DistanceConstraint.h include/rdkit/ForceField/UFF/Inversion.h include/rdkit/ForceField/UFF/Inversions.h include/rdkit/ForceField/UFF/Nonbonded.h include/rdkit/ForceField/UFF/Params.h include/rdkit/ForceField/UFF/PositionConstraint.h include/rdkit/ForceField/UFF/TorsionAngle.h include/rdkit/ForceField/UFF/TorsionConstraint.h include/rdkit/ForceField/UFF/Utils.h include/rdkit/Geometry/Grid3D.h include/rdkit/Geometry/GridUtils.h include/rdkit/Geometry/Transform.h include/rdkit/Geometry/Transform2D.h include/rdkit/Geometry/Transform3D.h include/rdkit/Geometry/UniformGrid3D.h include/rdkit/Geometry/Utils.h include/rdkit/Geometry/point.h include/rdkit/GraphMol/Abbreviations/Abbreviations.h include/rdkit/GraphMol/Atom.h include/rdkit/GraphMol/AtomIterators.h include/rdkit/GraphMol/Atropisomers.h include/rdkit/GraphMol/Bond.h include/rdkit/GraphMol/BondIterators.h include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h include/rdkit/GraphMol/Canon.h include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h include/rdkit/GraphMol/ChemReactions/Reaction.h include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h include/rdkit/GraphMol/ChemReactions/ReactionParser.h include/rdkit/GraphMol/ChemReactions/ReactionPickler.h include/rdkit/GraphMol/ChemReactions/ReactionRunner.h include/rdkit/GraphMol/ChemReactions/ReactionUtils.h include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h include/rdkit/GraphMol/Chirality.h include/rdkit/GraphMol/Conformer.h include/rdkit/GraphMol/CoordGen.h include/rdkit/GraphMol/Depictor/DepictUtils.h include/rdkit/GraphMol/Depictor/EmbeddedFrag.h include/rdkit/GraphMol/Depictor/RDDepictor.h include/rdkit/GraphMol/Deprotect/Deprotect.h include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h include/rdkit/GraphMol/Descriptors/AtomFeat.h include/rdkit/GraphMol/Descriptors/BCUT.h include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h include/rdkit/GraphMol/Descriptors/CoulombMat.h include/rdkit/GraphMol/Descriptors/Crippen.h include/rdkit/GraphMol/Descriptors/DCLV.h include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h include/rdkit/GraphMol/Descriptors/EEM.h include/rdkit/GraphMol/Descriptors/GETAWAY.h include/rdkit/GraphMol/Descriptors/Lipinski.h include/rdkit/GraphMol/Descriptors/MORSE.h include/rdkit/GraphMol/Descriptors/MQN.h include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h include/rdkit/GraphMol/Descriptors/MolDescriptors.h include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h include/rdkit/GraphMol/Descriptors/MolSurf.h include/rdkit/GraphMol/Descriptors/OxidationNumbers.h include/rdkit/GraphMol/Descriptors/PBF.h include/rdkit/GraphMol/Descriptors/PMI.h include/rdkit/GraphMol/Descriptors/Property.h include/rdkit/GraphMol/Descriptors/RDF.h include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h include/rdkit/GraphMol/Descriptors/USRDescriptor.h include/rdkit/GraphMol/Descriptors/WHIM.h include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h include/rdkit/GraphMol/DistGeomHelpers/Embedder.h include/rdkit/GraphMol/FMCS/FMCS.h include/rdkit/GraphMol/FMCS/Graph.h include/rdkit/GraphMol/FileParsers/CDXMLParser.h include/rdkit/GraphMol/FileParsers/FileParserUtils.h include/rdkit/GraphMol/FileParsers/FileParsers.h include/rdkit/GraphMol/FileParsers/FileWriters.h include/rdkit/GraphMol/FileParsers/GeneralFileReader.h include/rdkit/GraphMol/FileParsers/MolFileStereochem.h include/rdkit/GraphMol/FileParsers/MolSupplier.h include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h include/rdkit/GraphMol/FileParsers/MolWriters.h include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h include/rdkit/GraphMol/FileParsers/PNGParser.h include/rdkit/GraphMol/FileParsers/SequenceParsers.h include/rdkit/GraphMol/FileParsers/SequenceWriters.h include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h include/rdkit/GraphMol/Fingerprints/AtomPairs.h include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h include/rdkit/GraphMol/Fingerprints/Fingerprints.h include/rdkit/GraphMol/Fingerprints/MACCS.h include/rdkit/GraphMol/Fingerprints/MHFP.h include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h include/rdkit/GraphMol/Fingerprints/MorganGenerator.h include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h include/rdkit/GraphMol/FragCatalog/FragCatParams.h include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h include/rdkit/GraphMol/GenericGroups/GenericGroups.h include/rdkit/GraphMol/GraphMol.h include/rdkit/GraphMol/MMPA/MMPA.h include/rdkit/GraphMol/MarvinParse/MarvinParser.h include/rdkit/GraphMol/MolAlign/AlignMolecules.h include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h include/rdkit/GraphMol/MolBundle.h include/rdkit/GraphMol/MolCatalog/MolCatalog.h include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h include/rdkit/GraphMol/MolEnumerator/LinkNode.h include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h include/rdkit/GraphMol/MolHash/MolHash.h include/rdkit/GraphMol/MolHash/nmmolhash.h include/rdkit/GraphMol/MolInterchange/MolInterchange.h include/rdkit/GraphMol/MolInterchange/details.h include/rdkit/GraphMol/MolOps.h include/rdkit/GraphMol/MolPickler.h include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h include/rdkit/GraphMol/MolStandardize/Charge.h include/rdkit/GraphMol/MolStandardize/Fragment.h include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h include/rdkit/GraphMol/MolStandardize/Metal.h include/rdkit/GraphMol/MolStandardize/MolStandardize.h include/rdkit/GraphMol/MolStandardize/Normalize.h include/rdkit/GraphMol/MolStandardize/Tautomer.h include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h include/rdkit/GraphMol/MolStandardize/Validate.h include/rdkit/GraphMol/MolTransforms/MolTransforms.h include/rdkit/GraphMol/MonomerInfo.h include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h include/rdkit/GraphMol/PartialCharges/GasteigerParams.h include/rdkit/GraphMol/PeriodicTable.h include/rdkit/GraphMol/QueryAtom.h include/rdkit/GraphMol/QueryBond.h include/rdkit/GraphMol/QueryOps.h include/rdkit/GraphMol/RDKitBase.h include/rdkit/GraphMol/RDKitQueries.h include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h include/rdkit/GraphMol/ROMol.h include/rdkit/GraphMol/RWMol.h include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h include/rdkit/GraphMol/RascalMCES/RascalMCES.h include/rdkit/GraphMol/RascalMCES/RascalOptions.h include/rdkit/GraphMol/RascalMCES/RascalResult.h include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h include/rdkit/GraphMol/Resonance.h include/rdkit/GraphMol/RingInfo.h include/rdkit/GraphMol/Rings.h include/rdkit/GraphMol/SLNParse/SLNAttribs.h include/rdkit/GraphMol/SLNParse/SLNParse.h include/rdkit/GraphMol/SLNParse/SLNParseOps.h include/rdkit/GraphMol/SanitException.h include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h include/rdkit/GraphMol/SmilesParse/SmartsWrite.h include/rdkit/GraphMol/SmilesParse/SmilesParse.h include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h include/rdkit/GraphMol/SmilesParse/SmilesWrite.h include/rdkit/GraphMol/SmilesParse/primes.h include/rdkit/GraphMol/StereoGroup.h include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h include/rdkit/GraphMol/Subgraphs/Subgraphs.h include/rdkit/GraphMol/SubstanceGroup.h include/rdkit/GraphMol/Substruct/SubstructMatch.h include/rdkit/GraphMol/Substruct/SubstructUtils.h include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h include/rdkit/GraphMol/Trajectory/Snapshot.h include/rdkit/GraphMol/Trajectory/Trajectory.h include/rdkit/GraphMol/atomic_data.h include/rdkit/GraphMol/details.h include/rdkit/GraphMol/new_canon.h include/rdkit/Numerics/Alignment/AlignPoints.h include/rdkit/Numerics/Conrec.h include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h include/rdkit/Numerics/Matrix.h include/rdkit/Numerics/Optimizer/BFGSOpt.h include/rdkit/Numerics/SquareMatrix.h include/rdkit/Numerics/SymmMatrix.h include/rdkit/Numerics/Vector.h include/rdkit/Query/AndQuery.h include/rdkit/Query/EqualityQuery.h include/rdkit/Query/GreaterEqualQuery.h include/rdkit/Query/GreaterQuery.h include/rdkit/Query/LessEqualQuery.h include/rdkit/Query/LessQuery.h include/rdkit/Query/NullQueryAlgebra.h include/rdkit/Query/OrQuery.h include/rdkit/Query/Query.h include/rdkit/Query/QueryObjects.h include/rdkit/Query/RangeQuery.h include/rdkit/Query/SetQuery.h include/rdkit/Query/XOrQuery.h %%PYTHON%%include/rdkit/RDBoost/PySequenceHolder.h %%PYTHON%%include/rdkit/RDBoost/Wrap.h %%PYTHON%%include/rdkit/RDBoost/boost_numpy.h %%PYTHON%%include/rdkit/RDBoost/list_indexing_suite.hpp %%PYTHON%%include/rdkit/RDBoost/pyint_api.h %%PYTHON%%include/rdkit/RDBoost/python.h %%PYTHON%%include/rdkit/RDBoost/python_streambuf.h include/rdkit/RDGeneral/BadFileException.h include/rdkit/RDGeneral/BoostEndInclude.h include/rdkit/RDGeneral/BoostStartInclude.h include/rdkit/RDGeneral/ConcurrentQueue.h include/rdkit/RDGeneral/Dict.h include/rdkit/RDGeneral/Exceptions.h include/rdkit/RDGeneral/FileParseException.h include/rdkit/RDGeneral/Invariant.h include/rdkit/RDGeneral/LocaleSwitcher.h include/rdkit/RDGeneral/RDAny.h include/rdkit/RDGeneral/RDConfig.h include/rdkit/RDGeneral/RDExportMacros.h include/rdkit/RDGeneral/RDLog.h include/rdkit/RDGeneral/RDProps.h include/rdkit/RDGeneral/RDThreads.h include/rdkit/RDGeneral/RDValue-doublemagic.h include/rdkit/RDGeneral/RDValue-taggedunion.h include/rdkit/RDGeneral/RDValue.h include/rdkit/RDGeneral/Ranking.h include/rdkit/RDGeneral/StreamOps.h include/rdkit/RDGeneral/export.h include/rdkit/RDGeneral/hanoiSort.h include/rdkit/RDGeneral/hash/detail/float_functions.hpp include/rdkit/RDGeneral/hash/detail/hash_float.hpp include/rdkit/RDGeneral/hash/extensions.hpp include/rdkit/RDGeneral/hash/hash.hpp include/rdkit/RDGeneral/hash/hash_fwd.hpp include/rdkit/RDGeneral/test.h include/rdkit/RDGeneral/types.h include/rdkit/RDGeneral/utils.h include/rdkit/RDGeneral/versions.h include/rdkit/RDStreams/streams.h include/rdkit/RingDecomposerLib.h %%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/DistPicker.h 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