Dear Jean-Paul,

On Fri, Oct 8, 2010 at 5:15 PM, Jean-Paul Ebejer
<[email protected]> wrote:
> 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

Without seeing the specific error messages (you can get these by
giving ctest the --output-on-failure argument) it is difficult to be
sure, but I guess that the problem is that the test scripts are having
problems finding the two test databases in $RDBASE/Data. Two reasons I
could think of are that either something has happened to corrupt those
databases or that the "~" in your RDBASE definition isn't being
expanded. The very easy test would be to make sure that $RDBASE
includes the full path.

> 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.

It's always nice to have all the tests pass. :-)
Still, if the rest of the tests pass things are probably in good
shape. If you can't get the tests passing based on the suggestion
above and no one else on the list can help, you're probably safe using
the RDKit as is. If worse comes to works, when I'm back from vacation
in November we can pick this back up again to find a real solution.

Best,
-greg


-greg

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