search

Becksteinlab / MDPOW

Calculation of water/solvent partition coefficients with Gromacs.
https://mdpow.readthedocs.io
GNU General Public License v3.0
25 stars 10 forks source link

[CI] no GROMACS 2023.1 package for macOS with Python 3.10 #288

Closed orbeckst closed 1 week ago

orbeckst commented 1 week ago

The tests for macOS and Python 3.10 are failing because we (now???) cannot find a suitable GROMACS 2023.1 package.

This used to work. Check availability of GROMACS packages.

orbeckst commented 1 week ago

Closed with PR #290 (we are now testing the 2024.3 package, which seems to work). 🤷