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dd871c3536
* - added -DBOOST_SYSTEM_NO_DEPRECATED to definitions for MINGW builds - modified a few #ifdef's to discriminate better between MINGW and MSVC - added a ios::binary to Code/GraphMol/FileParsers/testMolSupplier.cpp (I already had to add some of those in the past to avoid the CR+LF issues on Windows) - modified Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp and Code/GraphMol/FMCS/FMCS.h because checking the function pointer does not work with DLLs as the function pointer changes upon different calls - builds under MinGW with -DRDK_USE_BOOST_SERIALIZATION=OFF and RDK_BUILD_THREADSAFE_SSS=OFF * - added the possibility to define MSVC_RUNTIME_DLL to point to the absolute path of an appropriate MSVC runtime DLL to enable multi-threaded builds with MinGW - modified C++ and Python tests of the multi-threaded conformation embedder as under 32-bit MinGW lower numeric precision introduces minimal coordinate differences with result in ~1-kcal energy difference. Therefore the energy criterion has been made more lenient, and a coordinate MSD criterion has been introduce to compare substantial identity of conformations * - reverted Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py and Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp to the upstream/master version