mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
ca206fcce6
* not really working from cmake, but can be compiled by hand * now a cmake build works * add a bunch of new stuff * lots of changes * demo * substructure highlighting (crude) and descriptors * include amw * update * cleanup * add first fingerprint * add tests * add fp * make the new stuff optional * add Dockerfile * add a readme * switch to using JSON for complex return values
40 lines
901 B
CMake
40 lines
901 B
CMake
createExportTestHeaders()
|
|
add_subdirectory(RDGeneral)
|
|
if(RDK_BUILD_PYTHON_WRAPPERS)
|
|
add_subdirectory(RDBoost)
|
|
endif(RDK_BUILD_PYTHON_WRAPPERS)
|
|
add_subdirectory(RDStreams)
|
|
add_subdirectory(DataStructs)
|
|
add_subdirectory(Geometry)
|
|
|
|
add_subdirectory(Numerics)
|
|
add_subdirectory(ForceField)
|
|
add_subdirectory(DistGeom)
|
|
add_subdirectory(Catalogs)
|
|
|
|
add_subdirectory(GraphMol)
|
|
add_subdirectory(Query)
|
|
add_subdirectory(Features)
|
|
|
|
add_subdirectory(DataManip)
|
|
if(RDK_BIG_ENDIAN)
|
|
message("Skipping build of SimDivPickers on big endian system")
|
|
else(RDK_BIG_ENDIAN)
|
|
add_subdirectory(SimDivPickers)
|
|
endif(RDK_BIG_ENDIAN)
|
|
|
|
add_subdirectory(ML)
|
|
add_subdirectory(ChemicalFeatures)
|
|
|
|
if(RDK_BUILD_SWIG_WRAPPERS)
|
|
add_subdirectory(JavaWrappers)
|
|
endif()
|
|
|
|
if(RDK_BUILD_PGSQL)
|
|
add_subdirectory(PgSQL/rdkit)
|
|
endif(RDK_BUILD_PGSQL)
|
|
|
|
if(RDK_BUILD_MINIMAL_LIB)
|
|
add_subdirectory(MinimalLib)
|
|
endif(RDK_BUILD_MINIMAL_LIB)
|