Lori A. Burns

> `pytest --ignore=cirq/contrib` Thank you, but the difficulty is that the optional contrib packages are imported at tests collection time, not just run time. > For the conda package, you...

I agree that compared to dftd3 that used either the `dftd3 -func` interface or the full parameter set input file, the present API's func trumps complete/partial parameters leads to divine-user-intent...

>> At the psi4 level, I think it's worth keeping user ability to selectively overwrite a functional's default params. Especially since for dftd4 params that are approximately fixed (alpha, s6...

> Easiest would be to just remove the PKGBUILD's from this repo and have them as separate repos under the @dftd4 repo. That'd work nicely. If anyone should need to...

+1 option 1 `extras` field is effectively the "scratch space"/"in development" role

> Promoting option 1, IMHO sends a strong signal that this schema is only appropriate for QCElemental, and it's no longer intended as a cross-program interchange. That's certainly not what...

My primary goals are to: * Not write schema docs & types twice, where one gets autotranslated into proper JSON and basic sanity checked with pydantic and the other sits...

So now we do line-item voting, Security Council veto rules? Just kidding. Matt's proposal sounds good to me. Only a couple items I want to make sure we're on the...

> We should look into making a bot that creates cross-linked issues. For example, if an issue is made on MolSSI/QCSchema titled "Foo", then a corresponding issue gets made on...

Taking a step back, here's three choices. Hope this makes more sense. For the examples, consider a H2/He system where "QC" is a quantum chemistry program like psi that can't...