@mattwthompson suggested some changes that should improve the examples environment:
- psi4 =1.9.1 # probably want 1.10+
- libint =2.9 # probably no longer needed
# NAGL training dependencies - constraints are just to help solver
# hopefully will be replaced by openff-nagl-training in future
- pyarrow =17 # this can probably be bumped up to 20, which is still outdated
We should test and implement these suggestions.
@mattwthompson suggested some changes that should improve the examples environment:
We should test and implement these suggestions.