Re: [Rdkit-discuss] RDKit Installation Works But Tests fail :(

[Jean-Paul E. <jea...@in...>]

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 <jea...@in...>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
>
>