#1146843 rdkit: FTBFS with new eigen3 and also fails in arm64

Package:
src:rdkit
Source:
src:rdkit
Submitter:
Maximiliano Curia
Date:
2026-09-08 10:21:05 UTC
Severity:
normal
Tags:
#1146843#5
Date:
2026-09-06 10:05:23 UTC
From:
To:
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

#1146843#8
Date:
2026-09-08 09:14:08 UTC
From:
To:
Hello,

Bug #1146843 in rdkit reported by you has been fixed in the
Git repository and is awaiting an upload. You can see the commit
message below and you can check the diff of the fix at:

https://salsa.debian.org/debichem-team/rdkit/-/commit/a2bde9505ad5031f57c1cc05eaf117518cc96115

(this message was generated automatically)
-- 
Greetings

https://bugs.debian.org/1146843

#1146843#15
Date:
2026-09-08 10:19:10 UTC
From:
To:
We believe that the bug you reported is fixed in the latest version of
rdkit, which is due to be installed in the Debian FTP archive.

A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to 1146843@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Andrius Merkys <merkys@debian.org> (supplier of updated rdkit package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@ftp-master.debian.org)
Format: 1.8
Date: Tue, 08 Sep 2026 05:59:04 -0400
Source: rdkit
Architecture: source
Version: 202603.4-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Andrius Merkys <merkys@debian.org>
Closes: 1136322 1146843
Changes:
 rdkit (202603.4-2) unstable; urgency=medium
 .
   * Backport modified upstream commit to fix FTBFS with eigen3 >= 5.0.0
     (Closes: #1136322)
   * Backport upstream commit increasing test tolerance to fix test failure on
     arm64 (Closes: #1146843)
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