I tried building RDKit in a Ubuntu virtual machine. The output said the build
was successful, ctest gave a number errors:
3 - pyBV (Failed)
4 - pyDiscreteValueVect (Failed)
5 - pySparseIntVect (Failed)
8 - testPyGeometry (Failed)
11 - pyAlignment (Failed)
15 - pyDistGeom (Failed)
25 - pyDepictor (Failed)
35 - pyChemReactions (Failed)
40 - pyFragCatalog (Failed)
42 - pyMolDescriptors (Failed)
44 - pyPartialCharges (Failed)
46 - pyMolTransforms (Failed)
48 - pyForceFieldHelpers (Failed)
50 - pyDistGeom (Failed)
52 - pyMolAlign (Failed)
54 - pyChemicalFeatures (Failed)
56 - pyShapeHelpers (Failed)
58 - pyMolCatalog (Failed)
60 - pySLNParse (Failed)
61 - pyGraphMolWrap (Failed)
62 - pyTestConformerWrap (Failed)
65 - pyMatCalc (Failed)
66 - pyCMIM (Failed)
67 - pyRanker (Failed)
69 - pyFeatures (Failed)
70 - pythonTestDbCLI (Failed)
71 - pythonTestDirML (Failed)
76 - pythonTestDirChem (Failed)
I think I know why these tests fail...when I try importing Chem, I get:
from rdkit import Chem
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/home/mo/Library/RDKit_2011_09_1/rdkit/Chem/__init__.py", line 18, in
<module>
from rdkit import rdBase
ImportError: cannot import name rdBase
I see rdBase.so sitting in $RDBASE/build/rdkit and I've got it in my PATH,
PYTHONPATH and LD_LIBRARY_PATH...
Would anyone know, is this an issue of finding the module or is there a problem
with the way it was built?
Thanks!
Felix
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