Greg Landrum <[email protected]> writes:
> On Fri, Sep 15, 2017 at 1:37 PM, Loris Bennett <[email protected]>
> 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 Universität Berlin Email [email protected]
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