Making a 2.0.1 release vs. 7 Weeks to 2.1

[ghutchis]

There are a few bug fixes that I’ve merged in the last week, but I’ve largely avoided any of the bigger changes in case a 2.0.1 release is needed.

Do you feel there are big bugs we need to fix for a 2.0.1? (Maybe sorting out the Gaussian import, but that seems to be more on the Open Babel side.)

If we stick to the planned release of 2.1 on June 2, that’s approximately 7 weeks. I’m more inclined to push some of the larger projects:

• Improve Gaussian basis performance (25x faster!) by ghutchis · Pull Request #2726 · OpenChemistry/avogadrolibs · GitHub
• When changing atoms, bonds, etc. invalidate surfaces, spectra, etc. by ghutchis · Pull Request #2752 · OpenChemistry/avogadrolibs · GitHub
• WIP: Store custom atom, bond, residue, and conformer properties by ghutchis · Pull Request #2774 · OpenChemistry/avogadrolibs · GitHub
• Add an initial polymer builder by ghutchis · Pull Request #2789 · OpenChemistry/avogadrolibs · GitHub

The custom conformer properties would go towards handling multiple vibrations across an optimization or trajectory. And as requested by @brockdyer03 I think we’d switch towards “kinds” of coordinate sets (e.g., conformers, dynamics trajectories, coordinate scans, reactions, etc.)

[brockdyer03]

Depending on what counts as a bugfix and what counts as a new feature I’d say currently things are fine to wait for a 2.1 release.

Something like #2739 would probably count as a feature, but the comment I added about making the dialog scrollable instead of fixed-width probably falls more into the bugfix category since it’s not intended behavior.