[Debichem-devel] Bug#1106436: pymatgen: FTBFS: TestInterfaceReaction.test_get_entry_energy fails

[Drew Parsons]

On 2025-05-30 23:23, Santiago Vila wrote:
> El 30/5/25 a las 23:10, Drew Parsons escribió:
>> Source: pymatgen
>> Followup-For: Bug #1106436
>> 
>> Ah true, in this case the test failure is more specific.
>> 
>> uncertainties/3.2.3-2 was uploaded in the middle of the package 
>> freeze,
>> and seems to be triggering failure in pymatgen's
>> TestInterfaceReaction.test_get_entry_energy
>> 
>> Should uncertainties/3.2.3-2 be reverted back to its previous version?
> 
> Now I remember... I talked with Colin about this a few days ago 
> (because of
> two other packages also broken by the new "uncertainties") and we both 
> believed
> that doing nothing was the best course of action:
> 
> https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1106426;msg=21
> 
> (I agree that I could have made that more visible, sorry for that).
> 
> In this case "do nothing" = let all the involved packages in testing
> to be the ones which we release with Debian 13.


That sounds fine.

To be honest, the failing test is a bit odd. It's expecting 1 
UserWarning and getting upset that uncertainties/3.2.3 is giving it 3 
UserWarnings. Seems a bit overzealous.  pymatgen upstream is currently 
working through a campaign of making their tests more rational.  They'll 
upgrade their uncertainties and notice this bug before too long, well in 
time for the forky release.