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ruff fixes #184

Merged
merged 42 commits into from
Sep 12, 2024
Merged

ruff fixes #184

merged 42 commits into from
Sep 12, 2024

Commits on Aug 5, 2024

  1. build against numpy2

    @DanielYang59
    DanielYang59 committed Aug 5, 2024
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  2. Need confirm: remove setuptool upper pin

    @DanielYang59
    DanielYang59 committed Aug 5, 2024
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Commits on Aug 9, 2024

  1. bump pymatgen version to support NP2

    @DanielYang59
    DanielYang59 committed Aug 9, 2024
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  2. include wandb into test dependency as it's required by test_trainer

    @DanielYang59
    DanielYang59 committed Aug 9, 2024
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  3. explicitly use weights_only False to avoid FutureWarning

    @DanielYang59
    DanielYang59 committed Aug 9, 2024
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  4. use tem path in test

    @DanielYang59
    DanielYang59 committed Aug 9, 2024
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Commits on Sep 10, 2024

  1. bump pymatgen to resolve np2 compatibility issue

    @DanielYang59
    DanielYang59 committed Sep 10, 2024
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Commits on Sep 11, 2024

  1. use int64

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  2. avoid release candidate for numpy build

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  3. Merge branch 'CederGroupHub:main' into numpy2

    @DanielYang59
    DanielYang59 authored Sep 11, 2024
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  4. revert dtype change for pytorch

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  5. fix error type

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  6. NEED CONFIRM: patch numpy random generator

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  7. pip install on win IS SLOW, do something while waiting

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  8. use cython type

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  9. include numpy c header

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  10. int64 might be better, intp is still platform dependent

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  11. maybe fix setup.py ModuleNotFoundError: No module named 'numpy' 

    by lazy-importing numpy
    @janosh
    janosh committed Sep 11, 2024
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  12. ruff fixes

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  13. Revert "maybe fix setup.py ModuleNotFoundError: No module named 'numpy'" 

    This reverts commit 45a1fd7.
    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  14. I don't think we need to manually install build deps, hoping I'm not … 

    …wrong
    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  15. add --system arg to uv pip install

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  16. merge uv install stage?

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  17. fix typo in error message

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  18. NEED CONFIRM: use torch.int32 over int for torch tensor

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  19. raise error instead of systemexit when failure

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  20. make module level var all cap

    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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  21. fix: /Users/runner/work/chgnet/chgnet/chgnet/model/dynamics.py:297: D… 

    …eprecationWarning: Use FrechetCellFilter for better convergence w.r.t. cell variables.

    atoms = ase_filter(atoms)
    @DanielYang59
    DanielYang59 committed Sep 11, 2024
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Commits on Sep 12, 2024

  1. let's see if any array is not int64

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  2. use setup-uv as Janosh suggested

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  3. try to fix package install

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  4. NEED CONFIRM: drop python 3.9

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  5. Revert "NEED CONFIRM: drop python 3.9" 

    This reverts commit bda704b.
    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  6. use uv pip install for now

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  7. revert to traditional uv pip install for now as setup-uv doesn't have… 

    … permission for some reason
    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  8. fix more missing type changes

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  9. revert changes to cygraph.pyx

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  10. revert changes related to np2

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  11. revert more np2 related changes

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  12. revert more np related changes

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  13. pin pmg 24.8.9

    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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  14. Revert "fix: /Users/runner/work/chgnet/chgnet/chgnet/model/dynamics.p… 

    …y:297: DeprecationWarning: Use FrechetCellFilter for better convergence w.r.t. cell variables."

This reverts commit b60f5e4.
    @DanielYang59
    DanielYang59 committed Sep 12, 2024
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