[Debichem-devel] Bug#1095955: openmm: please package v8.2.0

[Andrius Merkys]

Source: openmm
Version: 8.1.2+dfsg-3
Severity: wishlist
Control: block 1093240 by -1

Hello,

I am filing this bug to document the advantages, issues and progress of 
updating openmm to v8.2.0.

Advantages
==========

python-pdbfixer/1.11 requires openmm/8.2.0. This blocks #1093240.

Issues
======

openmm v8.2.0 stops versioning its shared libraries. I wrote about this 
on debichem-devel@ a while ago [1]. TL;DR: for openmm/8.2.0 we will have 
to switch to providing static libraries unless a solution to having 
shared libraries versioned is found; otherwise 3 reverse dependencies 
will have to be adapted to link statically. What is more, static library 
building has been reported to FTBFS [2].

Decision for trixie
===================

I would better leave packaging openmm/8.2.0 for post-trixie. Good thing 
is that openmm/8.1.2 seems to be immune to python3.13-add and numpy2 
transitions. However, time until freeze is scarce to resolve the 
aforementioned issues.

[1] 
https://alioth-lists.debian.net/pipermail/debichem-devel/2024-April/016396.html
[2] https://github.com/openmm/openmm/issues/4406

Andrius