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verified publisher icon Luthaf

Path to `featomic` release

Open jwa7 opened this issue 2 years ago • 4 comments

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

  • [ ] Build steps, outlined in #281
  • [x] Renaming metadata to match new conventions in metatensor https://github.com/Luthaf/rascaline/pull/285
  • [x] Find a product name, free on PyPI, GitHub, crate.io, no problematic related Google results

jwa7 avatar Feb 23 '24 10:02 jwa7

  • [x] Separate cell and strain gradients and fix cell gradients for small cell/large cutoff calculations

Luthaf avatar Feb 23 '24 18:02 Luthaf

  • [x] New hypers structure for base calculators

jwa7 avatar Jul 10 '24 12:07 jwa7

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?

Luthaf avatar Jul 10 '24 12:07 Luthaf

Ok that makes sense, I'll move those

jwa7 avatar Jul 10 '24 12:07 jwa7