Path to: `rascaline` release

Question

Path to: `rascaline` release

jwa7 opened this issue 8 months ago · comments

Joseph W. Abbott commented 8 months ago

Here we outline the steps needed to get to a rascaline release.

Build steps, outlined in #281
Renaming metadata to match new conventions in metatensor #285
Find a product name, free on PyPI, GitHub, crate.io, no problematic related Google results

Guillaume Fraux · Answer 1 · Sat Feb 24 2024 02:23:22 GMT+0800 (China Standard Time)

Separate cell and strain gradients and fix cell gradients for small cell/large cutoff calculations

Joseph W. Abbott · Answer 2 · Wed Jul 10 2024 20:22:45 GMT+0800 (China Standard Time)

New hypers structure for base calculators

Guillaume Fraux · Answer 3 · Wed Jul 10 2024 20:42:23 GMT+0800 (China Standard Time)

I don't think that anything related to the CG routines is related to the release. This issue is about stuff we can NOT do a release without, but CG can always be added/modified after an initial release (that's what incompatible version numbers are for). If you want to keep track of everything CG related somewhere, could you open a separate issue?

Joseph W. Abbott · Answer 4 · Wed Jul 10 2024 20:57:28 GMT+0800 (China Standard Time)

Ok that makes sense, I'll move those