test_atoms_constraints in io/test_packmol.py is fragile with different
coordinates generated on different architectures

e.g.
https://buildd.debian.org/status/fetch.php?pkg=pymatgen-core&arch=arm64&ver=2026.4.7%2Bdfsg1-3&stamp=1779556969&raw=0

=================================== FAILURES ===================================
/build/reproducible-path/pymatgen-core-2026.4.7+dfsg1/.pybuild/test_python3.14/tests/io/test_packmol.py:427: AssertionError

= 1 failed, 2507 passed, 124 skipped, 5 xfailed, 1 xpassed, 64 warnings in 251.16s (0:04:11) =

The non-H case fails similarly on i386, loong64, ppc64el.

Reported upstream
https://github.com/materialsproject/pymatgen-core/issues/70

Severity: serious since FTBFS

We believe that the bug you reported is fixed in the latest version of
pymatgen-core, 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 1137479@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Drew Parsons <dparsons@debian.org> (supplier of updated pymatgen-core 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: Thu, 16 Jul 2026 01:08:31 +0200
Source: pymatgen-core
Architecture: source
Version: 2026.4.7+dfsg1-6
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons@debian.org>
Closes: 1137479
Changes:
 pymatgen-core (2026.4.7+dfsg1-6) unstable; urgency=medium
 .
   * debian patch relax_packmol_test_tol_cf32d2a.patch applies upstream
     commit cf32d2a relaxing tolerances to allow packmol tests to pass
     on all architectures. Closes: #1137479
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