David L. Dotson
David L. Dotson
Can we also expose the cache settings (e.g. location, max records, etc.) as kwargs to the `AlchemiscaleClient` so users can alter these if needed?
@ianmkenney can I get a review on this one? I'll keep it [WIP] for now as we finish things out over on https://github.com/openforcefield/alchemiscale-fah/pull/7, but getting a review sooner than later...
Thanks so much @ianmkenney! I'm going to merge; any additional changes made to support `alchemiscale-fah` will come in subsequent PRs.
We also want to grab host information if possible; I believe QCEngine does this, allowing QCFractal to hold on to this information. We can reference their approach for our own...
Closed via #311.
Looks like we may be getting blocked by `gufe`, which currently requires `openff-models` 0.5.0: https://github.com/openforcefield/alchemiscale/actions/runs/6807892430/job/18511450355?pr=192#step:3:39 I've raised an issue on the `gufe-feedstock` to address: https://github.com/conda-forge/gufe-feedstock/issues/30
Otherwise, all tests passing when I run locally. :grin:
Getting weird hangs on the test suite in CI, but I can't reproduce the hangs locally. :smiling_face_with_tear:
We can switch wholly to `pydantic` v2 as of `gufe` 1.3, once this PR goes in: https://github.com/OpenFreeEnergy/gufe/issues/397
Looks like we got `pydantic` 2 working here!