Is your feature request related to a problem?
Python 3.13 has been out for about 14 months and we ought to look closely at its support. Currently it can be installed as such (micromamba create --name foo "openff-nagl" "python=3.13" does not error) but it's not clear if that actually works or how much.
Describe the solution you'd like
First add it to CI then evaluate whether or not it packaging should be updated
Describe alternatives you've considered
Just don't use Python 3.13
Additional context
A refactor away from DGL would impact this (probably making it easier)
Lily already took a stab at this and DGL does seem to be the crux of the issue: #221
Is your feature request related to a problem?
Python 3.13 has been out for about 14 months and we ought to look closely at its support. Currently it can be installed as such (
micromamba create --name foo "openff-nagl" "python=3.13"does not error) but it's not clear if that actually works or how much.Describe the solution you'd like
First add it to CI then evaluate whether or not it packaging should be updated
Describe alternatives you've considered
Just don't use Python 3.13
Additional context
A refactor away from DGL would impact this (probably making it easier)
Lily already took a stab at this and DGL does seem to be the crux of the issue: #221