Greg Landrum <> writes:

> On Fri, Sep 15, 2017 at 1:37 PM, Loris Bennett <> 
> 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" 
  "pyBV" start time: Sep 15 12:55 CEST
  Traceback (most recent call last):
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 
  Ran 13 tests in 0.545s


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.



Dr. Loris Bennett (Mr.)
ZEDAT, Freie Universit├Ąt Berlin         Email

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