search

jthorton / de-forcefields

Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
MIT License
20 stars 2 forks source link

Python 3.10+ #2

Closed mattwthompson closed 1 year ago

mattwthompson commented 1 year ago

I'm curious if this version constraint could be relaxed? It's preventing pip install git+... in my tests, probably because 0.10.6 is less tested on 3.10? I can work around it but I'd like to use this package directly if possible.

jthorton commented 1 year ago

Sure this seems to work now, in testing I had an issue with the toolkit not finding the installed force fields as the return from entry points had changed in 3.10.

mattwthompson commented 1 year ago

Thanks!