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e642c46525
* - made Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp and Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py more robust against very small coordinate variations which may induce UFF energy variations in the 1-kcal/mol range. This was observed in a single case using the MinGW 32-bit g++ compiler. The check for identity of conformations between single- and multi-threaded runs is now complemented by a 3D coordinate MSD check * - lowered the energy tolerance to 1.0 kcal/mol * - added rdkitBuild string with compile-time information - added runtime check in Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp and Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py to use more lenient tolerances with MinGW compilers
12 lines
454 B
CMake
12 lines
454 B
CMake
#include <RDGeneral/versions.h>
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const char * RDKit::rdkitVersion = "@RDKit_RELEASENAME@";
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// The Boost version as detected at build time.
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// CMake's Boost_LIB_VERSION is defined by the FindBoost.cmake module
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// to be the same as the value from <boost/version.hpp>
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const char * RDKit::boostVersion = "@Boost_LIB_VERSION@";
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// The system/compiler on which RDKit was built as detected at build time.
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const char * RDKit::rdkitBuild = "@RDKit_BUILDNAME@";
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