[Bug 804125] Review Request: rdkit - A toolkit for cheminformatics and machine learning

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https://bugzilla.redhat.com/show_bug.cgi?id=804125



--- Comment #66 from Paul Emsley <pemsley@xxxxxxxxx> ---
(In reply to Gianluca Sforna from comment #65)

> > 
> > Skip the test?
> 
> yep, I did it and prepared a new package

Good stuff.

> 
> https://giallu.fedorapeople.org/rdkit.spec
> https://giallu.fedorapeople.org/rdkit-2016.03.2-4.fc23.src.rpm
> 
> scratch build far rawhide:
> http://koji.fedoraproject.org/koji/taskinfo?taskID=15242505

You have put an executable script fmcs in
/usr/lib64/python2.7/site-packages/rdkit/Chem/fmcs.  I don't think that it
belongs there. RDKit users shouldn't have to add
/usr/lib64/python2.7/site-packages/rdkit/Chem/fmcs to their path to find it. In
fact, as it's just a shim I don't think it need to be packaged at all and RDKit
users can get to fmcs funcions via

>>> from RDKit.Chem import fmcs

or so?  (And that will use fmcs.py, not fmcs.)

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