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chore: move to scikit-build-core #364
chore: move to scikit-build-core #364
Conversation
Fix pickling errors of CP2K within OTF training
Fix broken link to sparse GP tutorial
…ions/peaceiris/actions-gh-pages-4 Bump peaceiris/actions-gh-pages from 3 to 4
…ions/actions/setup-python-5 Bump actions/setup-python from 4 to 5
…ions/actions/checkout-4 Bump actions/checkout from 2 to 4
…ions/mattnotmitt/doxygen-action-1.9.8 Bump mattnotmitt/doxygen-action from 1.1.0 to 1.9.8
…ts-2.15.0 Bump pygments from 2.11.2 to 2.15.0
Multiple cutoffs for B1 and B3
@anjohan, is this something we want to pursue? I'm inclined to close given the age of these commits and the failing builds |
QR for numerical stability of mapped variance
Let me know if you want me to rebase. |
Thanks @henryiii, that would be helpful. As long as we can get the build passing I don't see a reason not to use scikit-build-core; it looks like it would be a solid improvement over our current approach. |
relax numpy requirement
Yes, ideally, as I think this would be a substantial improvement (and simplification). It's just been below the greater cleanup (deleting 2+3, old OTF etc.) on the priority list. |
Yeah, I've looked into it a bit and agree, definitely an improvement. @henryiii I'm rebasing on a separate branch, so no need to spend time on this -- I will let you know if I hit any snags.
We should probably talk about the plan here, I would prefer to keep the old code in place in case other groups want to reproduce published results or try similar experiments |
…/henryiii/flare into scikit-build-core
Summary
Include a summary of major changes in bullet points:
Additional dependencies introduced (if any)
(removing some too, including setuptools)
TODO (if any)
Checklist
Work-in-progress pull requests are encouraged, but please put [WIP]
in the pull request title.
Before a pull request can be merged, the following items must be checked:
Run Black on your local machine.
flare/_version.py
is updated. We are using a version number format a.b.cNote that the CI system will run all the above checks. But it will be much more
efficient if you already fix most errors prior to submitting the PR.