[Debichem-devel] Bug#936536: fmcs: Python2 removal in sid/bullseye

Stuart Prescott stuart at debian.org
Fri Jan 10 05:21:02 GMT 2020


As noted in #733861, FMCS is now part of python3-rdkit. 

With python3-rdkit installed, the following provides fmcs with Python 3 (once 
#945985 is sorted out)

$ python3
>>> from rdkit.Chem import fmcs
>>> 

I propose that we simply drop the fmcs source package; it has no rdeps other 
than the debichem-cheminformatics blends package (which already includes 
python3-rdkit). Explicitly adding FMCS to the description of python3-rdkit and 
perhaps a Provides python3-fmcs would make it more discoverable.

(It would be possible to expose fmcs so that a simple "import fmcs" worked but 
that doesn't seem like the direction that upstream is going, so I don't 
propose we do so)

If there are no objections over the coming days, I'll implement this plan.

-- 
Stuart Prescott    http://www.nanonanonano.net/   stuart at nanonanonano.net
Debian Developer   http://www.debian.org/         stuart at debian.org
GPG fingerprint    90E2 D2C1 AD14 6A1B 7EBB 891D BBC1 7EBB 1396 F2F7



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