CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Publish pre-compiled wheels for all platforms to PyPI in release CI #71

Closed janosh closed 11 months ago

janosh commented 11 months ago

@BowenD-UCB @AegisIK Here's a rough draft for publishing pre-compiled wheels for all platforms to PyPI. This probably doesn't work yet but needs to be debugged by actually running in CI.

BowenD-UCB commented 11 months ago

Thanks a lot for leading this update! Very valuable!

codacy-production[bot] commented 11 months ago

Coverage summary from Codacy

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Coverage variation Diff coverage
Report missing for 992f8f183ec58e38570ba466de75be6c5da5d9c5[^1]
Coverage variation details | | Coverable lines | Covered lines | Coverage | | ------------- | ------------- | ------------- | ------------- | | Common ancestor commit (992f8f183ec58e38570ba466de75be6c5da5d9c5) | Report Missing | Report Missing | Report Missing | | | Head commit (7399299f7e40da8f2356e24fef56cbaebf55f043) | 1260 | 963 | 76.43% | **Coverage variation** is the difference between the coverage for the head and common ancestor commits of the pull request branch: ` - `
Diff coverage details | | Coverable lines | Covered lines | Diff coverage | | ------------- | ------------- | ------------- | ------------- | | Pull request (#71) | 0 | 0 | **∅ (not applicable)** | **Diff coverage** is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: `/ * 100%`

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janosh commented 11 months ago

@BowenD-UCB @AegisIK I think this is working now. Real test will be next version bump to see if it gets all the way to PyPI.

AegisIK commented 11 months ago

Thanks!!!