svn commit: r558009 - in head/science/rdkit: . files
Yuri Victorovich
yuri at FreeBSD.org
Sun Dec 13 22:00:59 UTC 2020
Author: yuri
Date: Sun Dec 13 22:00:58 2020
New Revision: 558009
URL: https://svnweb.freebsd.org/changeset/ports/558009
Log:
science/rdkit: Update 2018.09.3 -> 2020.09.3
Reported by: portscout
Deleted:
head/science/rdkit/files/patch-External_catch_CMakeLists.txt
Modified:
head/science/rdkit/Makefile
head/science/rdkit/distinfo
head/science/rdkit/pkg-plist
Modified: head/science/rdkit/Makefile
==============================================================================
--- head/science/rdkit/Makefile Sun Dec 13 21:43:09 2020 (r558008)
+++ head/science/rdkit/Makefile Sun Dec 13 22:00:58 2020 (r558009)
@@ -2,8 +2,7 @@
PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
-DISTVERSION= 2018_09_3
-PORTREVISION= 7
+DISTVERSION= 2020_09_3
CATEGORIES= science
MAINTAINER= yuri at FreeBSD.org
@@ -15,18 +14,21 @@ LICENSE_FILE= ${WRKSRC}/license.txt
BUILD_DEPENDS= catch>0:devel/catch \
flex:textproc/flex \
rapidjson>=0:devel/rapidjson
-LIB_DEPENDS= libboost_system.so:devel/boost-libs
+LIB_DEPENDS= libboost_system.so:devel/boost-libs \
+ libcoordgen.so:science/coordgenlibs \
+ libfreetype.so:print/freetype2 \
+ libmaeparser.so:science/maeparser
USES= bison:build cmake compiler:c++11-lang eigen:3 python
USE_GITHUB= yes
-GH_TUPLE= schrodinger:maeparser:1.0.0:maeparser/External/CoordGen/maeparser \
- schrodinger:coordgenlibs:ede3191:coordgenlibs/External/CoordGen/coordgenlibs
+GH_TUPLE= rareylab:RingDecomposerLib:v1.1.3_rdkit:RingDecomposerLib/External/RingFamilies/RingDecomposerLib
USE_LDCONFIG= yes
CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \
RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC \
- RDK_OPTIMIZE_NATIVE
-CMAKE_ARGS= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR} -DCATCH_DIR=${LOCALBASE}
+ RDK_OPTIMIZE_NATIVE \
+ RDK_BUILD_CPP_TESTS
+CMAKE_ARGS= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR} -DCATCH_DIR=${LOCALBASE}/include/catch2
DATADIR= ${PREFIX}/share/RDKit
DOCSDIR= ${PREFIX}/share/doc/RDKit
Modified: head/science/rdkit/distinfo
==============================================================================
--- head/science/rdkit/distinfo Sun Dec 13 21:43:09 2020 (r558008)
+++ head/science/rdkit/distinfo Sun Dec 13 22:00:58 2020 (r558009)
@@ -1,7 +1,5 @@
-TIMESTAMP = 1553998061
-SHA256 (rdkit-rdkit-Release_2018_09_3_GH0.tar.gz) = 3be20bade43657c0d74617ab99ca30f872eaaedc314a87f690ac38e5ef590224
-SIZE (rdkit-rdkit-Release_2018_09_3_GH0.tar.gz) = 54644917
-SHA256 (schrodinger-maeparser-1.0.0_GH0.tar.gz) = f21e49d25fda5fb2ba4d698f104aa3fbfdd131d92f0807f3e617c15ebfc314aa
-SIZE (schrodinger-maeparser-1.0.0_GH0.tar.gz) = 26292
-SHA256 (schrodinger-coordgenlibs-ede3191_GH0.tar.gz) = 85b1ab66647a523a87bee584533fa81315ea82fde42542aa59e1e08bdf734471
-SIZE (schrodinger-coordgenlibs-ede3191_GH0.tar.gz) = 3721485
+TIMESTAMP = 1607891776
+SHA256 (rdkit-rdkit-Release_2020_09_3_GH0.tar.gz) = aa95bf3cbeef287eeb6d9759ff0992d2f92f2171b1758af71b7c9a0ec97a0660
+SIZE (rdkit-rdkit-Release_2020_09_3_GH0.tar.gz) = 58598385
+SHA256 (rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715
+SIZE (rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931
Modified: head/science/rdkit/pkg-plist
==============================================================================
--- head/science/rdkit/pkg-plist Sun Dec 13 21:43:09 2020 (r558008)
+++ head/science/rdkit/pkg-plist Sun Dec 13 22:00:58 2020 (r558009)
@@ -1,3 +1,4 @@
+include/rdkit/CIPLabeler/CIPLabeler.h
include/rdkit/Catalogs/Catalog.h
include/rdkit/Catalogs/CatalogEntry.h
include/rdkit/Catalogs/CatalogParams.h
@@ -10,6 +11,7 @@ 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
@@ -59,19 +61,21 @@ 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/Bond.h
include/rdkit/GraphMol/BondIterators.h
include/rdkit/GraphMol/Canon.h
-include/rdkit/GraphMol/ChemReactions/CartesianProduct.h
-include/rdkit/GraphMol/ChemReactions/Enumerate.h
-include/rdkit/GraphMol/ChemReactions/EnumerateBase.h
-include/rdkit/GraphMol/ChemReactions/EnumerationPickler.h
-include/rdkit/GraphMol/ChemReactions/EnumerationStrategyBase.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/RandomSample.h
-include/rdkit/GraphMol/ChemReactions/RandomSampleAllBBs.h
include/rdkit/GraphMol/ChemReactions/Reaction.h
include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h
include/rdkit/GraphMol/ChemReactions/ReactionParser.h
@@ -87,9 +91,13 @@ 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/Data3Ddescriptors.h
include/rdkit/GraphMol/Descriptors/EEM.h
@@ -112,18 +120,16 @@ include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBui
include/rdkit/GraphMol/DistGeomHelpers/Embedder.h
include/rdkit/GraphMol/FMCS/FMCS.h
include/rdkit/GraphMol/FMCS/Graph.h
-include/rdkit/GraphMol/FMCS/MatchTable.h
-include/rdkit/GraphMol/FMCS/MaximumCommonSubgraph.h
-include/rdkit/GraphMol/FMCS/RingMatchTableSet.h
-include/rdkit/GraphMol/FMCS/Seed.h
-include/rdkit/GraphMol/FMCS/SeedSet.h
-include/rdkit/GraphMol/FMCS/SubstructMatchCustom.h
-include/rdkit/GraphMol/FMCS/SubstructureCache.h
include/rdkit/GraphMol/FileParsers/FileParserUtils.h
include/rdkit/GraphMol/FileParsers/FileParsers.h
+include/rdkit/GraphMol/FileParsers/GeneralFileReader.h
include/rdkit/GraphMol/FileParsers/MolFileStereochem.h
include/rdkit/GraphMol/FileParsers/MolSupplier.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
@@ -137,12 +143,14 @@ include/rdkit/GraphMol/Fingerprints/FingerprintGenerat
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/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
@@ -166,34 +174,42 @@ include/rdkit/GraphMol/MolChemicalFeatures/FeaturePars
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h
+include/rdkit/GraphMol/MolDraw2D/DrawText.h
+include/rdkit/GraphMol/MolDraw2D/DrawTextFT.h
+include/rdkit/GraphMol/MolDraw2D/DrawTextFTJS.h
+include/rdkit/GraphMol/MolDraw2D/DrawTextFTSVG.h
+include/rdkit/GraphMol/MolDraw2D/DrawTextJS.h
+include/rdkit/GraphMol/MolDraw2D/DrawTextSVG.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h
-include/rdkit/GraphMol/MolDraw2D/MolDraw2DDetails.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/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/AcidBaseCatalogEntry.h
-include/rdkit/GraphMol/MolStandardize/AcidBaseCatalogParams.h
-include/rdkit/GraphMol/MolStandardize/AcidBaseCatalogUtils.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/FragmentCatalogEntry.h
-include/rdkit/GraphMol/MolStandardize/FragmentCatalogParams.h
-include/rdkit/GraphMol/MolStandardize/FragmentCatalogUtils.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/TautomerCatalogEntry.h
-include/rdkit/GraphMol/MolStandardize/TautomerCatalogParams.h
-include/rdkit/GraphMol/MolStandardize/TautomerCatalogUtils.h
-include/rdkit/GraphMol/MolStandardize/TransformCatalogEntry.h
-include/rdkit/GraphMol/MolStandardize/TransformCatalogParams.h
-include/rdkit/GraphMol/MolStandardize/TransformCatalogUtils.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
@@ -216,6 +232,7 @@ 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
@@ -224,24 +241,22 @@ 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/StructChecker/Pattern.h
-include/rdkit/GraphMol/StructChecker/ReCharge.h
-include/rdkit/GraphMol/StructChecker/Stereo.h
-include/rdkit/GraphMol/StructChecker/StripSmallFragments.h
-include/rdkit/GraphMol/StructChecker/StructChecker.h
-include/rdkit/GraphMol/StructChecker/Tautomer.h
-include/rdkit/GraphMol/StructChecker/Utilites.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
@@ -254,6 +269,7 @@ 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
@@ -269,6 +285,7 @@ include/rdkit/Query/XOrQuery.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
@@ -286,25 +303,34 @@ include/rdkit/RDGeneral/Ranking.h
include/rdkit/RDGeneral/StreamOps.h
include/rdkit/RDGeneral/export.h
include/rdkit/RDGeneral/hanoiSort.h
-include/rdkit/RDGeneral/hash/hash/detail/float_functions.hpp
-include/rdkit/RDGeneral/hash/hash/detail/hash_float.hpp
-include/rdkit/RDGeneral/hash/hash/extensions.hpp
-include/rdkit/RDGeneral/hash/hash/hash.hpp
-include/rdkit/RDGeneral/hash/hash/hash_fwd.hpp
+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
-%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/DistPicker.h
-%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/HierarchicalClusterPicker.h
-%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/MaxMinPicker.h
+include/rdkit/RDStreams/streams.h
+include/rdkit/RingDecomposerLib.h
+include/rdkit/SimDivPickers/DistPicker.h
+include/rdkit/SimDivPickers/HierarchicalClusterPicker.h
+include/rdkit/SimDivPickers/LeaderPicker.h
+include/rdkit/SimDivPickers/MaxMinPicker.h
lib/cmake/rdkit/rdkit-config-version.cmake
lib/cmake/rdkit/rdkit-config.cmake
lib/cmake/rdkit/rdkit-targets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/rdkit/rdkit-targets.cmake
+lib/libRDKitAbbreviations.so
+lib/libRDKitAbbreviations.so.1
+lib/libRDKitAbbreviations.so.1.%%SHLIB_VER%%
lib/libRDKitAlignment.so
lib/libRDKitAlignment.so.1
lib/libRDKitAlignment.so.1.%%SHLIB_VER%%
+lib/libRDKitCIPLabeler.so
+lib/libRDKitCIPLabeler.so.1
+lib/libRDKitCIPLabeler.so.1.%%SHLIB_VER%%
lib/libRDKitCatalogs.so
lib/libRDKitCatalogs.so.1
lib/libRDKitCatalogs.so.1.%%SHLIB_VER%%
@@ -323,6 +349,9 @@ lib/libRDKitDataStructs.so.1.%%SHLIB_VER%%
lib/libRDKitDepictor.so
lib/libRDKitDepictor.so.1
lib/libRDKitDepictor.so.1.%%SHLIB_VER%%
+lib/libRDKitDeprotect.so
+lib/libRDKitDeprotect.so.1
+lib/libRDKitDeprotect.so.1.%%SHLIB_VER%%
lib/libRDKitDescriptors.so
lib/libRDKitDescriptors.so.1
lib/libRDKitDescriptors.so.1.%%SHLIB_VER%%
@@ -377,6 +406,9 @@ lib/libRDKitMolChemicalFeatures.so.1.%%SHLIB_VER%%
lib/libRDKitMolDraw2D.so
lib/libRDKitMolDraw2D.so.1
lib/libRDKitMolDraw2D.so.1.%%SHLIB_VER%%
+lib/libRDKitMolEnumerator.so
+lib/libRDKitMolEnumerator.so.1
+lib/libRDKitMolEnumerator.so.1.%%SHLIB_VER%%
lib/libRDKitMolHash.so
lib/libRDKitMolHash.so.1
lib/libRDKitMolHash.so.1.%%SHLIB_VER%%
@@ -389,6 +421,9 @@ lib/libRDKitMolStandardize.so.1.%%SHLIB_VER%%
lib/libRDKitMolTransforms.so
lib/libRDKitMolTransforms.so.1
lib/libRDKitMolTransforms.so.1.%%SHLIB_VER%%
+lib/libRDKitO3AAlign.so
+lib/libRDKitO3AAlign.so.1
+lib/libRDKitO3AAlign.so.1.%%SHLIB_VER%%
lib/libRDKitOptimizer.so
lib/libRDKitOptimizer.so.1
lib/libRDKitOptimizer.so.1.%%SHLIB_VER%%
@@ -404,15 +439,24 @@ lib/libRDKitRDGeneral.so.1.%%SHLIB_VER%%
lib/libRDKitRDGeometryLib.so
lib/libRDKitRDGeometryLib.so.1
lib/libRDKitRDGeometryLib.so.1.%%SHLIB_VER%%
+lib/libRDKitRDStreams.so
+lib/libRDKitRDStreams.so.1
+lib/libRDKitRDStreams.so.1.%%SHLIB_VER%%
lib/libRDKitRGroupDecomposition.so
lib/libRDKitRGroupDecomposition.so.1
lib/libRDKitRGroupDecomposition.so.1.%%SHLIB_VER%%
lib/libRDKitReducedGraphs.so
lib/libRDKitReducedGraphs.so.1
lib/libRDKitReducedGraphs.so.1.%%SHLIB_VER%%
+lib/libRDKitRingDecomposerLib.so
+lib/libRDKitRingDecomposerLib.so.1
+lib/libRDKitRingDecomposerLib.so.1.%%SHLIB_VER%%
lib/libRDKitSLNParse.so
lib/libRDKitSLNParse.so.1
lib/libRDKitSLNParse.so.1.%%SHLIB_VER%%
+lib/libRDKitScaffoldNetwork.so
+lib/libRDKitScaffoldNetwork.so.1
+lib/libRDKitScaffoldNetwork.so.1.%%SHLIB_VER%%
lib/libRDKitShapeHelpers.so
lib/libRDKitShapeHelpers.so.1
lib/libRDKitShapeHelpers.so.1.%%SHLIB_VER%%
@@ -422,9 +466,6 @@ lib/libRDKitShapeHelpers.so.1.%%SHLIB_VER%%
lib/libRDKitSmilesParse.so
lib/libRDKitSmilesParse.so.1
lib/libRDKitSmilesParse.so.1.%%SHLIB_VER%%
-lib/libRDKitStructChecker.so
-lib/libRDKitStructChecker.so.1
-lib/libRDKitStructChecker.so.1.%%SHLIB_VER%%
lib/libRDKitSubgraphs.so
lib/libRDKitSubgraphs.so.1
lib/libRDKitSubgraphs.so.1.%%SHLIB_VER%%
@@ -434,18 +475,15 @@ lib/libRDKitSubstructLibrary.so.1.%%SHLIB_VER%%
lib/libRDKitSubstructMatch.so
lib/libRDKitSubstructMatch.so.1
lib/libRDKitSubstructMatch.so.1.%%SHLIB_VER%%
+lib/libRDKitTautomerQuery.so
+lib/libRDKitTautomerQuery.so.1
+lib/libRDKitTautomerQuery.so.1.%%SHLIB_VER%%
lib/libRDKitTrajectory.so
lib/libRDKitTrajectory.so.1
lib/libRDKitTrajectory.so.1.%%SHLIB_VER%%
-lib/libRDKitcoordgenlib.so
-lib/libRDKitcoordgenlib.so.1
-lib/libRDKitcoordgenlib.so.1.%%SHLIB_VER%%
%%LITTLE_ENDIAN%%lib/libRDKithc.so
%%LITTLE_ENDIAN%%lib/libRDKithc.so.1
%%LITTLE_ENDIAN%%lib/libRDKithc.so.1.%%SHLIB_VER%%
-lib/libRDKitmaeparser.so
-lib/libRDKitmaeparser.so.1
-lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Avalon/__init__.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/AllChem.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/AtomPairs/Pairs.py
@@ -533,12 +571,12 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/resonance.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/standardize.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/tautomer.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/test_standardizer.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/utils.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/validate.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/validations.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolSurf.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/PandasTools.py
-%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/PeriodicTable.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Pharm2D/Generate.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Pharm2D/LazyGenerator.py
@@ -559,7 +597,9 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SATIS.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SaltRemover.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Scaffolds/MurckoScaffold.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Scaffolds/__init__.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/ShowMols.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SimpleEnum/Enumerator.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SimpleEnum/__init__.py
@@ -579,19 +619,24 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/fmcs/fmcs
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/fmcs/fmcs.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/inchi.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdAbbreviations.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdCIPLabeler.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdChemReactions.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdChemicalFeatures.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdCoordGen.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdDepictor.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdDeprotect.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdDistGeom.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdFMCS.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdFingerprintGenerator.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdForceFieldHelpers.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMHFPFingerprint.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMMPA.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolAlign.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolCatalog.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolChemicalFeatures.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolDescriptors.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolEnumerator.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolHash.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolInterchange.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolTransforms.so
@@ -600,8 +645,8 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdReducedGraphs.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdSLNParse.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdShapeHelpers.so
-%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdStructChecker.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdSubstructLibrary.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdTautomerQuery.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdchem.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdfiltercatalog.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdfragcatalog.so
@@ -743,7 +788,6 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/VLib/Transform.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/VLib/__init__.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/__init__.py
-%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/_py2_pickle.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/rdBase.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/six.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/sping/PDF/__init__.py
@@ -1002,6 +1046,10 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%DATADIR%%/Data/DTDs/RD_Dataset.dtd
%%DATADIR%%/Data/DTDs/RD_Model.dtd
%%DATADIR%%/Data/DTDs/validate.py
+%%DATADIR%%/Data/Fonts/Amadeus.ttf
+%%DATADIR%%/Data/Fonts/Telex-Regular.ttf
+%%DATADIR%%/Data/Fonts/amadeus_font_license.txt
+%%DATADIR%%/Data/Fonts/telex_font_license.txt
%%DATADIR%%/Data/FragmentDescriptors.csv
%%DATADIR%%/Data/FunctionalGroups.txt
%%DATADIR%%/Data/Functional_Group_Hierarchy.txt
@@ -1031,7 +1079,6 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%DATADIR%%/Data/struchk/checkfgs.chk
%%DATADIR%%/Data/struchk/checkfgs.opt
%%DATADIR%%/Data/struchk/checkfgs.trn
-%%DATADIR%%/Data/templates.mae
%%PYTHON%%%%DATADIR%%/Projects/DbCLI/CreateDb.py
%%PYTHON%%%%DATADIR%%/Projects/DbCLI/SearchDb.py
%%PYTHON%%%%DATADIR%%/Projects/DbCLI/TestDbCLI.py
@@ -1047,4 +1094,5 @@ lib/libRDKitmaeparser.so.1.%%SHLIB_VER%%
%%PYTHON%%%%DATADIR%%/Scripts/PythonFormat.py
%%PYTHON%%%%DATADIR%%/Scripts/README.md
%%PYTHON%%%%DATADIR%%/Scripts/create_deb_packages.sh
+%%PYTHON%%%%DATADIR%%/Scripts/test.sh
%%DATADIR%%/license.txt
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