[Debichem-devel] Bug#1146843: rdkit: FTBFS with new eigen3 and also fails in arm64

[Maximiliano Curia]

Package: src:rdkit
Version: 202603.4-1
User: debian-python at lists.debian.org
Usertags: python3.15
Tags: patch, ftbfs, forky, sid
Severity: serious

Hi!

While rebuilding the python related packages against the Python 3.15rc1
version we found that rdkit fails to build from source [1], now because
it fails to detect a newer eigen3.

Upstream commit d8ce92b61ce356bc2764e13f0d4b9a5df48094c5 [2] improved
handling of finding eigen and solves the problem.

After applying this fix, I found that it also fails on arm64
architecture [3], due to a different reason.

This one can be fixed with upstream commit
fab08afd7000ac6000358a7c79e95cc1940e1c39 [4] test: increase
DistGeomHelpers compareConfs tolerance to 0.1

Please consider applying these patches as well as the one reported on
#1146588, to get rdkit to build successfully.

Happy hacking,

[1]: https://debusine.debian.net/debian/r-python-python3.15/artifact/4631477/
[2]: https://github.com/rdkit/rdkit/commit/d8ce92b61ce356bc2764e13f0d4b9a5df48094c5
[3]: https://debusine.debian.net/debian/r-python-python3.15/artifact/4632989/
[4]: https://github.com/rdkit/rdkit/commit/fab08afd7000ac6000358a7c79e95cc1940e1c39

-- 
"Can you imagine what I would do if I could do all I can?" -- Sun Tzu
Saludos /\/\ /\ >< `/
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