Lori A. Burns

> Maybe it's a pybind11 issue? Worth a try. Looks like we were at `v2.2.3` in that era: (2nd col of https://github.com/psi4/psi4meta/blob/master/conda-recipes/conda_build_config.yaml#L103-L104) > Yup. And no changes to dependency lists...

> Yes, this is all due to the switch to L2. L2 can't be bundled with Psi4 since it doesn't come bundled with Psi4 in the first place. All libraries...

I was thinking _downgrading_ pb11, not _updating_ it, but ok (2.10 mentions py311 compatibility anyways). I looked through the deps logs from the last good one to this one, and...

> Have you tried with Python 3.11 yet? update, I've built python 3.11 rc and numpy from source (first time ever). I did have to use the most recent v2.10.0...

> I see that this PR passes without needing to update any tests. Do you think some QCFractal tests would be helpful to have, especially now that we have the...

This PR is good prep, but let's hold off on merge. * In practice, qcf `master` is working as expected and `next` has quirks, so let's keep `master` option open....

Thanks for warning. Some updates: * there _are_ conda packages now for `next` off `-c qcarchive` channel * I still need to look into next+dask+queuing, so leaving psi4 as qcf-master-based...

I've got all the parts that affect REMP ready. Final stage is to persuade dfocc to converge simple molecules to default tolerance under default conditions :-) I'll update this PR...

Hooray, we finally have clean CI and tests on this combo dfocc+remp PR! Now, I'll break off `occ` as the first piece for review. I think I favor `REMP` to...

> I think I favor REMP to REMP2 in QCVariables, just to be specific. Hmm, that means the the calls change also to e.g., `energy("oremp2")`. That's consistent with `energy("mp2")`, so...