Dear Paolo, Thank you for your response.
I built boost with the following commands. $ ./bootstrap.sh --prefix=/usr/local/boost_1_62_0 --with-python=/usr/local/bin/python --with-python-root=/usr/local $ ./b2 threading=multi /usr/local/bin/python is my self-built version of Python 2.7. The command you suggested gives the following information but I can not interpret it. $ ctest -I 7,7 -V UpdateCTestConfiguration from :/home/nmr/RDKit/build/DartConfiguration.tcl Start processing tests UpdateCTestConfiguration from :/home/nmr/RDKit/build/DartConfiguration.tcl Test project /home/nmr/RDKit/build Constructing a list of tests Done constructing a list of tests Changing directory into /home/nmr/RDKit/build/External/INCHI-API Changing directory into /home/nmr/RDKit/build/Code/RDGeneral Changing directory into /home/nmr/RDKit/build/Code/DataStructs Changing directory into /home/nmr/RDKit/build/Code/DataStructs/Wrap 7/112 Testing pyBV Test command: /usr/local/bin/python /home/nmr/RDKit/Code/DataStructs/Wrap/testBV.py Test timeout computed to be: 9.99988e+06 ......E...E.. ====================================================================== ERROR: test3Bounds (__main__.TestCase) ---------------------------------------------------------------------- Traceback (most recent call last): File "/home/nmr/RDKit/Code/DataStructs/Wrap/testBV.py", line 91, in test3Bounds bv1[11] RuntimeError: IndexErrorException ====================================================================== ERROR: test7FPS (__main__.TestCase) ---------------------------------------------------------------------- Traceback (most recent call last): File "/home/nmr/RDKit/Code/DataStructs/Wrap/testBV.py", line 172, in test7FPS self.assertRaises(ValueError, lambda: DataStructs.CreateFromFPSText("030082801")) File "/usr/local/lib/python2.7/unittest/case.py", line 475, in assertRaises callableObj(*args, **kwargs) File "/home/nmr/RDKit/Code/DataStructs/Wrap/testBV.py", line 172, in <lambda> self.assertRaises(ValueError, lambda: DataStructs.CreateFromFPSText("030082801")) RuntimeError: ValueErrorException ---------------------------------------------------------------------- Ran 13 tests in 0.753s FAILED (errors=2) -- Process completed ***Failed Changing directory into /home/nmr/RDKit/build/Code/Geometry Changing directory into /home/nmr/RDKit/build/Code/Geometry/Wrap Changing directory into /home/nmr/RDKit/build/Code/Numerics Changing directory into /home/nmr/RDKit/build/Code/Numerics/Alignment Changing directory into /home/nmr/RDKit/build/Code/Numerics/Alignment/Wrap Changing directory into /home/nmr/RDKit/build/Code/Numerics/Optimizer Changing directory into /home/nmr/RDKit/build/Code/ForceField/UFF Changing directory into /home/nmr/RDKit/build/Code/ForceField/MMFF Changing directory into /home/nmr/RDKit/build/Code/ForceField/Wrap Changing directory into /home/nmr/RDKit/build/Code/DistGeom Changing directory into /home/nmr/RDKit/build/Code/DistGeom/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Depictor Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Depictor/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/SmilesParse Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FileParsers Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Substruct Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ChemReactions Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ChemReactions/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ChemTransforms Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Subgraphs Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FilterCatalog Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FilterCatalog/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FragCatalog Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FragCatalog/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Descriptors Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Descriptors/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Fingerprints Changing directory into /home/nmr/RDKit/build/Code/GraphMol/PartialCharges Changing directory into /home/nmr/RDKit/build/Code/GraphMol/PartialCharges/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolTransforms Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolTransforms/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ForceFieldHelpers/MMFF Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ForceFieldHelpers/UFF Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ForceFieldHelpers/CrystalFF Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ForceFieldHelpers/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/DistGeomHelpers Changing directory into /home/nmr/RDKit/build/Code/GraphMol/DistGeomHelpers/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolAlign Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolAlign/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolChemicalFeatures Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolChemicalFeatures/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ShapeHelpers Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ShapeHelpers/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolCatalog Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolCatalog/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolDraw2D Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolDraw2D/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FMCS Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FMCS/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/FMCS/Test Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolHash Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MolHash/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MMPA Changing directory into /home/nmr/RDKit/build/Code/GraphMol/MMPA/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/StructChecker Changing directory into /home/nmr/RDKit/build/Code/GraphMol/StructChecker/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ReducedGraphs Changing directory into /home/nmr/RDKit/build/Code/GraphMol/ReducedGraphs/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Trajectory Changing directory into /home/nmr/RDKit/build/Code/GraphMol/SLNParse Changing directory into /home/nmr/RDKit/build/Code/GraphMol/SLNParse/Wrap Changing directory into /home/nmr/RDKit/build/Code/GraphMol/Wrap Changing directory into /home/nmr/RDKit/build/Code/Query Changing directory into /home/nmr/RDKit/build/Code/DataManip/MetricMatrixCalc Changing directory into /home/nmr/RDKit/build/Code/DataManip/MetricMatrixCalc/Wrap Changing directory into /home/nmr/RDKit/build/Code/SimDivPickers/Wrap Changing directory into /home/nmr/RDKit/build/Code/ML/InfoTheory/Wrap Changing directory into /home/nmr/RDKit/build/Code/ChemicalFeatures Changing directory into /home/nmr/RDKit/build/Code/ChemicalFeatures/Wrap Changing directory into /home/nmr/RDKit/build/Projects Changing directory into /home/nmr/RDKit/build/rdkit 0% tests passed, 1 tests failed out of 1 The following tests FAILED: 7 - pyBV (Failed) Errors while running CTest Could you tell me what does it mean? Regards, Rintarou On 2017/02/01 19:05, Paolo Tosco wrote: > Dear Rintarou, > > did you check that you built boost 1.62 against your own self-built > version of Python 2.7 rather than against system Python? Alternatively, > you might be missing a Python module. > You may get more information about why, e.g., test 7 failed issuing the > command: > > ctest -I 7,7 -V > > Best, > Paolo > ------------------------------------------------------------------------------ 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