2023-12-04 Meeting notes

General updates

Suggests cancelling next week (MT offline)

Versioning

Good idea to start making releases? (Just git tags for now - no conda packages.) Would start at 0.0.1 and probably increment a patch version every small number of PRs

Commit hashes should be sufficient for reproducibility but not best practice

QCArchive 0.50 or Espaloma

Espaloma won’t be compatible with 0.50 soon, but would like ibstore to be. Ok dropping Espaloma tests/etc in this period of time? Could still drop back to an older version to make Espaloma comparisons.

Trello update

• https://trello.com/b/dzvFZnv4/infrastructure?filter=label:benchmarking