Dear All,
I am trying to compile rdkit to run with Python3.4 on Ubuntu 14.04 as per
the instructions at http://www.rdkit.org/docs/Install.html For reasons
which I don't really want to get into we would prefer to avoid anaconda for
the time being.
That being said, when I try to test the build, I get a number of errors and
failed tests (the build does not work when called from Python, which is
unsurprising).
For reference, the cmake command I issued was:
cmake -DRDK_BUILD_INCHI_SUPPORT=ON -D PYTHON_LIBRARY=/usr/lib/
python3.4/config-3.4m-x86_64-linux-gnu/libpython3.4.so -D
PYTHON_INCLUDE_DIR=/usr/include/python3.4/ -D
PYTHON_EXECUTABLE=/usr/bin/python3.4
-DBOOST_ROOT=/usr/lib/x86_64-linux-gnu/ ..
The tests which fail are as follows:
The following tests FAILED:
5 - pyBV (SEGFAULT)
6 - pyDiscreteValueVect (SEGFAULT)
7 - pySparseIntVect (SEGFAULT)
8 - pyFPB (SEGFAULT)
11 - testPyGeometry (SEGFAULT)
14 - pyAlignment (Failed)
18 - pyForceFieldConstraints (SEGFAULT)
20 - pyDistGeom (Failed)
33 - pyDepictor (SEGFAULT)
45 - pyChemReactions (SEGFAULT)
50 - pyFilterCatalog (SEGFAULT)
52 - pyFragCatalog (SEGFAULT)
54 - pyMolDescriptors (SEGFAULT)
57 - pyPartialCharges (SEGFAULT)
59 - pyMolTransforms (SEGFAULT)
63 - pyForceFieldHelpers (SEGFAULT)
65 - pyDistGeom (SEGFAULT)
67 - pyMolAlign (SEGFAULT)
69 - pyChemicalFeatures (SEGFAULT)
71 - pyShapeHelpers (SEGFAULT)
73 - pyMolCatalog (SEGFAULT)
75 - pyMolDraw2D (SEGFAULT)
77 - pyFMCS (SEGFAULT)
80 - pyMolHash (SEGFAULT)
82 - pyMMPA (SEGFAULT)
84 - pyReducedGraphs (SEGFAULT)
86 - pySLNParse (SEGFAULT)
87 - pyGraphMolWrap (SEGFAULT)
88 - pyTestConformerWrap (SEGFAULT)
89 - pyTestThreads (SEGFAULT)
92 - pyMatCalc (SEGFAULT)
93 - pySimDivPickers (SEGFAULT)
94 - pyRanker (Failed)
96 - pyFeatures (SEGFAULT)
97 - pythonTestDbCLI (Failed)
98 - pythonTestDirML (Failed)
99 - pythonTestDirDataStructs (Failed)
101 - pythonTestDirSimDivFilters (Failed)
102 - pythonTestDirVLib (Failed)
103 - pythonTestDirChem (SEGFAULT)
I must confess I'm a little out of my depth right now, so I don't even know
where to begin debugging this. Any advice would be greatly appreciated,
Best,
Phil
------------------------------------------------------------------------------
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
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
