[Debichem-devel] Suggested change to rdkit package

Andrius Merkys merkys at debian.org
Thu Aug 7 08:47:32 BST 2025


Hi Roland,

On 8/6/25 16:25, Roland Mas wrote:
> I've been tasked with packaging MDANSE 
> https://github.com/ISISNeutronMuon/MDANSE which requires rdkit; it also 
> requires the rdDetermineBonds module of rdkit, which isn't currently built.
> 
> I've therefore taken the liberty of making the necessary changes (+ a 
> fix) in a fork for which I created a merge request.

I took a glance at your MR [1], it looks good to me. Feel free to merge 
it and upload once trixie is out.

> (Also: the pristine-tar branch seems to lack the data for the current 
> version; I imported it locally, but you may want to do so on the salsa 
> repository too)

Can you check whether the regenerated pristine tar is the same as 
uploaded to the archive? If so, please push your changes to this branch. 
Thanks!

> PS: I added myself to Uploaders before noticing I'm not part of the 
> debichem team; feel free to either add me or revert that part :-)

I am happy with you aboard the rdkit uploaders.

Thanks,
Andrius

[1] https://salsa.debian.org/debichem-team/rdkit/-/merge_requests/3/diffs



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