diff --git a/Code/CMakeLists.txt b/Code/CMakeLists.txt index 913355d94..616e3b28c 100644 --- a/Code/CMakeLists.txt +++ b/Code/CMakeLists.txt @@ -13,6 +13,7 @@ add_subdirectory(Catalogs) add_subdirectory(GraphMol) add_subdirectory(Query) +add_subdirectory(Features) add_subdirectory(DataManip) if(RDK_BIG_ENDIAN) diff --git a/Code/Features/CMakeLists.txt b/Code/Features/CMakeLists.txt new file mode 100644 index 000000000..ded3726be --- /dev/null +++ b/Code/Features/CMakeLists.txt @@ -0,0 +1,2 @@ +rdkit_headers(Feature.h + DEST Features) diff --git a/Code/GraphMol/CMakeLists.txt b/Code/GraphMol/CMakeLists.txt index 36f92c14e..fac12c80f 100644 --- a/Code/GraphMol/CMakeLists.txt +++ b/Code/GraphMol/CMakeLists.txt @@ -56,6 +56,9 @@ add_subdirectory(MolChemicalFeatures) add_subdirectory(ShapeHelpers) add_subdirectory(MolCatalog) +add_subdirectory(MolDrawing) + + if(RDK_BUILD_SLN_SUPPORT AND NOT CMAKE_COMPILER_IS_CLANG) add_subdirectory(SLNParse) endif() diff --git a/Code/GraphMol/ChemTransforms/CMakeLists.txt b/Code/GraphMol/ChemTransforms/CMakeLists.txt index 93e1213d8..3feaceaac 100644 --- a/Code/GraphMol/ChemTransforms/CMakeLists.txt +++ b/Code/GraphMol/ChemTransforms/CMakeLists.txt @@ -1,13 +1,19 @@ rdkit_library(ChemTransforms ChemTransforms.cpp MolFragmenter.cpp LINK_LIBRARIES -SubstructMatch SmilesParse ) + SubstructMatch SmilesParse + ${RDKit_THREAD_LIBS}) -rdkit_headers(ChemTransforms.h DEST GraphMol/ChemTransforms) +rdkit_headers(ChemTransforms.h + MolFragmenter.h + DEST GraphMol/ChemTransforms) # there's no Wrap subdirectory on the main trunk (but in "minimal" there is).. #add_subdirectory(Wrap) +#rdkit_test(testChemTransforms testChemTransforms.cpp +# LINK_LIBRARIES ChemTransforms FileParsers SmilesParse SubstructMatch GraphMol RDGeometryLib RDGeneral ) rdkit_test(testChemTransforms testChemTransforms.cpp - LINK_LIBRARIES ChemTransforms FileParsers SmilesParse SubstructMatch GraphMol RDGeometryLib RDGeneral ) + LINK_LIBRARIES ChemTransforms_static FileParsers_static SmilesParse_static SubstructMatch_static + GraphMol_static RDGeometryLib_static RDGeneral_static ${RDKit_THREAD_LIBS}) diff --git a/Code/GraphMol/Descriptors/CMakeLists.txt b/Code/GraphMol/Descriptors/CMakeLists.txt index 9bd1beff7..c8e357675 100644 --- a/Code/GraphMol/Descriptors/CMakeLists.txt +++ b/Code/GraphMol/Descriptors/CMakeLists.txt @@ -5,7 +5,9 @@ rdkit_library(Descriptors rdkit_headers(Crippen.h Lipinski.h MolDescriptors.h - MolSurf.h DEST GraphMol/Descriptors) + MolSurf.h + ConnectivityDescriptors.h + DEST GraphMol/Descriptors) rdkit_test(testDescriptors test.cpp LINK_LIBRARIES PartialCharges Descriptors FileParsers SmilesParse Subgraphs SubstructMatch GraphMol DataStructs RDGeneral RDGeometryLib ) diff --git a/Code/GraphMol/Fingerprints/CMakeLists.txt b/Code/GraphMol/Fingerprints/CMakeLists.txt index 1a2dc3aec..3e5095a73 100644 --- a/Code/GraphMol/Fingerprints/CMakeLists.txt +++ b/Code/GraphMol/Fingerprints/CMakeLists.txt @@ -1,11 +1,12 @@ rdkit_library(Fingerprints - Fingerprints.cpp MorganFingerprints.cpp AtomPairs.cpp + Fingerprints.cpp MorganFingerprints.cpp AtomPairs.cpp MACCS.cpp LINK_LIBRARIES Subgraphs SubstructMatch SmilesParse GraphMol ${RDKit_THREAD_LIBS} ) rdkit_headers(AtomPairs.h Fingerprints.h - MorganFingerprints.h DEST GraphMol/Fingerprints) + MorganFingerprints.h + DEST GraphMol/Fingerprints) rdkit_test(testFingerprints test1.cpp LINK_LIBRARIES Fingerprints FileParsers SubstructMatch SmilesParse diff --git a/Code/GraphMol/MolDrawing/CMakeLists.txt b/Code/GraphMol/MolDrawing/CMakeLists.txt new file mode 100644 index 000000000..b3c556317 --- /dev/null +++ b/Code/GraphMol/MolDrawing/CMakeLists.txt @@ -0,0 +1,5 @@ +rdkit_headers(DrawingToCairo.h + DrawingToSVG.h + MolDrawing.h + DEST GraphMol/MolDrawing) + diff --git a/Code/RDBoost/CMakeLists.txt b/Code/RDBoost/CMakeLists.txt index 570c8f040..a61ad562c 100644 --- a/Code/RDBoost/CMakeLists.txt +++ b/Code/RDBoost/CMakeLists.txt @@ -3,6 +3,7 @@ rdkit_library(RDBoost Wrap.cpp rdkit_headers(Exceptions.h Wrap.h PySequenceHolder.h list_indexing_suite.hpp + python_streambuf.h DEST RDBoost) add_subdirectory(Wrap) diff --git a/Code/RDGeneral/CMakeLists.txt b/Code/RDGeneral/CMakeLists.txt index 43a1571d8..fca48dad4 100644 --- a/Code/RDGeneral/CMakeLists.txt +++ b/Code/RDGeneral/CMakeLists.txt @@ -12,7 +12,9 @@ rdkit_headers(BadFileException.h StreamOps.h types.h utils.h - versions.h DEST RDGeneral) + versions.h + LocaleSwitcher.h + DEST RDGeneral) if (NOT RDK_INSTALL_INTREE) install(DIRECTORY hash DESTINATION ${RDKit_HdrDir}/RDGeneral/hash PATTERN ".svn" EXCLUDE)