I missed out on a small note (including the boost libs in the
LD_LIBRARY_PATH - my bad, of course) and have now reduced all errors in
tests to just *TWO*
97% tests passed, 2 tests failed out of 76
> Total Test time (real) = 88.95 sec
> The following tests FAILED:
71 - pythonTestDirML (Failed)
76 - pythonTestDirChem (Failed)
Errors while running CTest
My environment variables (because now I figure these are important) are:
RDBASE=~/apps/RDKit_2010_09_1
export RDBASE
LD_LIBRARY_PATH=$RDBASE/lib:/usr/local/lib:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
BOOST=~/api/boost_1_44_0
export BOOST
PYTHONPATH=$RDBASE:$PYTHONPATH
export PYTHONPATH
My boost libraries are in /usr/local/lib
Many thanks for any help you can offer - I'd like to see the tests run 100%
- that is a pretty clear indication that all is fine.
Cheers
JP
On 8 October 2010 14:40, Jean-Paul Ebejer <jeanpaul.ebe...@inhibox.com>wrote:
>
> Hi there @RDKit,
>
> I have just installed RDKit (RDKit_2010_09_1) on Ubuntu Linux (64 bit) -
> built it from source and the installation worked fine (no errors and I got
> to the end of it, which for me at least means it worked).
>
> However when running the tests (with ctest) "only" 63% of the tests pass
> (the ones failing are listed below)
>
> 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)
>
>
> Any ideas how worried should I be about this? Or, the idyllic solution,
> how do I fix these?
>
> My boost installation is version 1.44.0, bison (GNU Bison) 2.4.1, flex
> 2.5.35, Python 2.6.5 (and OS Ubuntu 10.04 - 64Bit).
>
> Any help?
>
> Thanks folks, and keep the good work up,
> JP
>
>
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