Irfan Alibay

> Where are you with the update that you mentioned @IAlibay ? Sorry I'm travelling / handling work things - I'll be free to do MDAnalysis things, including this, over...

@jthorton admittedly I've not put a ton of thought into this, so I could be completely off the mark, what I'm thinking of is we could: a) ensure that the...

I think being able to manually pass a serialized FF would be great. It might be a good idea to widen the scope here - i.e. "passing additional input data"...

Just wanted to say that I see the ping here but I haven't read anything and won't until the latter half of next week - apologies it's a busy end...

> > looks good! could you add a news item, if this is technically the commit that makes us numpy 2 compatible? > > I think it is worth mentioning...

I'm not sure I understand why allowing the tests to fail is a good option here. Couple of thoughts: 1. If we remove options to retry certain tests when they...

> I just want to harmonize on the restart method. Ah ok, that's sounds great to me, thanks for explaining this @mikemhenry !

@mikemhenry do you want to add the allowable platforms list as a validator to the OpenmmEngineSettings class? I feel like we should document what we support somewhere, and it's probably...

> So we don't currently have any validators: > > https://github.com/OpenFreeEnergy/openfe/blob/main/openfe/protocols/openmm_utils/omm_settings.py#L300-L313 > > A literal would be my preference -- users can deal with errors of using `cuda` instead of...

> Who would start the process of getting on the cf feedstock recipe? I have opened an issue on the feedstock, let's see what happens.