EasyBuild module for xtb-python

[steenlysgaard]

Do you have any plans of creating an EasyBuild recipe for installing xtb-python?

I have used the xtb easyconfig file to install xtb and that works without issues. On top of that, I can install xtb-python by following the instructions here: https://xtb-python.readthedocs.io/en/latest/installation.html#building-from-source, but for creating an installation other users can benefit from it would be nicer to use EasyBuild.

My own few attempts have so far failed since installing xtb-python requires both a Meson Ninja step for building _libxtb and a step for setting the correct PYTHONPATH.

[awvwgk]

There have been attempts to create EasyBuild recipes for xtb and assorted projects in the past, but I haven't followed those as I'm not using EasyBuild myself to manage my software stack. So far conda and especially conda-forge did an incredible job to solve all my needs for managing software distributions.

Generally, I'm not opposed to explore new distribution mechanisms for this project and I'm happy to help packagers to create recipes or troubleshoot build problems. Just keep in mind I won't take over the burden to maintain those distribution channels myself.