Dear All, I have been used RDKit 2015_03_1 with self-build version of python 2.7 and boost 1.62 on CentOS 5.11. Now I tried to built and install 2016_09_3 in the same environment and I got 13 errors after ctest.
88% tests passed, 13 tests failed out of 112 The following tests FAILED: 7 - pyBV (Failed) 8 - pyDiscreteValueVect (Failed) 9 - pySparseIntVect (Failed) 13 - testPyGeometry (Failed) 64 - pyMolTransforms (Failed) 70 - pyDistGeom (Failed) 72 - pyMolAlign (Failed) 74 - pyChemicalFeatures (Failed) 95 - pyGraphMolWrap (Failed) 97 - pyTestTrajectory (Failed) 102 - pySimDivPickers (Failed) 108 - pythonTestDirDataStructs (Failed) 112 - pythonTestDirChem (Failed) Errors while running CTest I checked following commands. I could not find problems. $ ldd $RDBASE/rdkit/Chem/rdchem.so linux-vdso.so.1 => (0x00007fff5e3fd000) libSmilesParse.so.1 => /home/nmr/RDKit/lib/libSmilesParse.so.1 (0x00002b7ccfaa0000) libChemTransforms.so.1 => /home/nmr/RDKit/lib/libChemTransforms.so.1 (0x00002b7ccfcf6000) libSubstructMatch.so.1 => /home/nmr/RDKit/lib/libSubstructMatch.so.1 (0x00002b7ccff39000) libGraphMol.so.1 => /home/nmr/RDKit/lib/libGraphMol.so.1 (0x00002b7cd0167000) libRDGeometryLib.so.1 => /home/nmr/RDKit/lib/libRDGeometryLib.so.1 (0x00002b7cd04c9000) libRDGeneral.so.1 => /home/nmr/RDKit/lib/libRDGeneral.so.1 (0x00002b7cd06e4000) libRDBoost.so.1 => /home/nmr/RDKit/lib/libRDBoost.so.1 (0x00002b7cd08ff000) libboost_python.so.1.62.0 => /usr/local/boost_1_62_0/lib/libboost_python.so.1.62.0 (0x00002b7cd0ccb000) libboost_thread.so.1.62.0 => /usr/local/boost_1_62_0/lib/libboost_thread.so.1.62.0 (0x00002b7cd0f1f000) libboost_system.so.1.62.0 => /usr/local/boost_1_62_0/lib/libboost_system.so.1.62.0 (0x00002b7cd1145000) libboost_serialization.so.1.62.0 => /usr/local/boost_1_62_0/lib/libboost_serialization.so.1.62.0 (0x00002b7cd1349000) libDataStructs.so.1 => /home/nmr/RDKit/lib/libDataStructs.so.1 (0x00002b7cd1599000) libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b7cd18fd000) libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x00002b7cd1b1a000) libm.so.6 => /lib64/libm.so.6 (0x00002b7cd1e1a000) libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b7cd209d000) libc.so.6 => /lib64/libc.so.6 (0x00002b7cd22ac000) libdl.so.2 => /lib64/libdl.so.2 (0x00002b7cd2605000) libutil.so.1 => /lib64/libutil.so.1 (0x00002b7cd280a000) librt.so.1 => /lib64/librt.so.1 (0x00002b7cd2a0d000) /lib64/ld-linux-x86-64.so.2 (0x0000003ada200000) $ python -c 'from rdkit import rdBase; print rdBase.__file__' /home/nmr/RDKit/rdkit/rdBase.so Can you please suggest any solutions? Thank you, Rintarou ------------------------------------------------------------ Suzuki, Rintarou National Agriculture and Food Research Organization Tsukuba, Japan ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss