Greg Landrum <greg.land...@gmail.com> writes:

> On Fri, Sep 15, 2017 at 1:37 PM, Loris Bennett <loris.benn...@fu-berlin.de> 
> wrote:
>
>  When I did
>
>  make test
>
>  some of the tests failed:
>
>  61% tests passed, 46 tests failed out of 117
>
>  but most of the failures seemed to have been caused by
>
>  ImportError: No module named rdkit
>
> Yeah, this is because you'd need to also setup the RDBASE, PYTHONPATH,
> and LD_LIBRARY_PATH variables for the account that's running ctest.

I think that is already correctly set up.  If I look at the first error:

  Command: "/opt/rh/python27/root/usr/bin/python" 
"/home/BUILD/rdkit/rdkit-Release_2017_03_3/Code/DataStructs/Wrap/testBV.py"
  Directory: 
/home/BUILD/rdkit/rdkit-Release_2017_03_3/build/Code/DataStructs/Wrap
  "pyBV" start time: Sep 15 12:55 CEST
  Output:
  ----------------------------------------------------------
  Traceback (most recent call last):
    File 
"/home/BUILD/rdkit/rdkit-Release_2017_03_3/Code/DataStructs/Wrap/testBV.py", 
line 1, in <module>
      from rdkit import DataStructs
  ImportError: No module named rdkit

I can run this test directly and it succeeds:

  $ /opt/rh/python27/root/usr/bin/python 
/home/BUILD/rdkit/rdkit-Release_2017_03_3/Code/DataStructs/Wrap/testBV.py
  .............
  ----------------------------------------------------------------------
  Ran 13 tests in 0.545s

  OK

So, strangely, it sort of looks as if part of the environment is being
overwritten when I run 'make test'.  However, I may have to leave this
for the time-being.  I'm sure the users will let me know if something is
still broken. 

[snip (7 lines)]

> If you have some time next Wed./Thurs. you should swing by the UGM
> during one of the breaks and say hi. :-)

Thanks, will do.

Cheers,

Loris

-- 
Dr. Loris Bennett (Mr.)
ZEDAT, Freie Universit├Ąt Berlin         Email loris.benn...@fu-berlin.de

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