mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
d15efc1ac9
* auto generate coords in mol block writer if includeChirality = True * default to include chirality when writing mol blocks/files * make isomeric smiles the default; note that not all tests are passing at the moment * update a reaction test * update expected cartridge search results at this point all python, c++, and cartridge tests pass * docs * update incompatibility docs * update doctests * these now build * minor example update * update expected c++ * typo * make allowCXSMILES=true the default * add auto perception of chirality when reading 3D structures from mol blocks * explain changes in release notes * further doc update
37 lines
1.4 KiB
CMake
37 lines
1.4 KiB
CMake
# Attempts to find RDKit libraries using the current value of $RDBASE
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# or, failing that, a version in my home directory
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# It returns the static (.a) libraries not the .so ones because that's
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# easiest for shipping (on Unix anyway. This may have to change once I start
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# dealing with Windows as well.)
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#
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# It will define
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# RDKIT_FOUND as MyRDKit_FOUND if it finds everything it needs
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# RDKIT_INCLUDE_DIR
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# RDKIT_LIBRARIES as requested
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set(RDKIT_DIR $ENV{RDBASE})
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if(NOT RDKIT_DIR)
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message( WARNING "Using RDKit at /home/cosgrove/RDKit_2013_09_1" )
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set(RDKIT_DIR "/home/cosgrove/RDKit_2013_09_1")
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endif(NOT RDKIT_DIR)
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set(RDKIT_INCLUDE_DIR ${RDKIT_DIR}/Code)
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set(RDKIT_FOUND "MyRDKit_FOUND")
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# libraries, as specified in the COMPONENTS
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foreach(component ${MyRDKit_FIND_COMPONENTS})
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message( "Looking for RDKit component ${component}" )
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find_file( MyRDKit_LIBRARY_${component}
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libRDKit${component}.so
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PATH ${RDKIT_DIR}/lib NO_DEFAULT_PATH)
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message("MyRDKit_LIBRARY_${component} : ${MyRDKit_LIBRARY_${component}}")
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if(${MyRDKit_LIBRARY_${component}} MATCHES "-NOTFOUND$")
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message(FATAL_ERROR "Didn't find RDKit ${component} library.")
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endif(${MyRDKit_LIBRARY_${component}} MATCHES "-NOTFOUND$")
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set(RDKIT_LIBRARIES ${RDKIT_LIBRARIES} ${MyRDKit_LIBRARY_${component}})
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endforeach(component)
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message("RDKIT_INCLUDE_DIR : ${RDKIT_INCLUDE_DIR}")
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message("RDKIT_LIBRARIES : ${RDKIT_LIBRARIES}")
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message("RDKIT_FOUND : ${RDKIT_FOUND}")
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