Eric Berquist

Results 342 comments of Eric Berquist

Done in https://github.com/cclib/cclib/pull/1481

Looks like we will need to do extra work to keep the 2.x branch up to date, or only make PRs from the head of 2.x rather than master.

This is on hold until https://github.com/MolSSI/QCSchema/pull/81 or a variation of it is merged.

This will be reworked to use the https://github.com/openqcschema/openqcschema (QCElemental) schema.

This is how all our optional dependencies work (such as the bridges), though Open Babel is the most pervasive in the codebase. Outside of the bridge my understanding is the...

> Personally, I don't mind putting rare, optional imports like this in the function body itself (in fact I would argue it's more appropriate there), but I know some people...

RE: your last comment, do you think it's important to install and/or test against 3.6? Right now we install (but not test) against 3.7 and install/test against 3.8 and up.

> Is anyone actively working on this? Is the plan to support only 2.0 or also support 1.x? None of the maintainers are AFAIK. We haven't even discussed it. My...

> I might take a stab at it then using the 1.x parser. Have there been breaking changes on `master` since 1.8.1? > > Yes, but I'm going to revert...

> Addressed in [aabf6cd](https://github.com/cclib/cclib/commit/aabf6cd096e4a94d0561f462f904e0de1e957b3c) Yep, confirmed. This should be all set with https://github.com/cclib/cclib/pull/1517.