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
>
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