[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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