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Merge master into develop branch #335

Merged
merged 31 commits into from
Nov 28, 2024
Merged

Merge master into develop branch #335

merged 31 commits into from
Nov 28, 2024

Commits on Nov 21, 2024

  1. Merge pull request #330 from WMD-group/develop 

    Merge the develop branch into the master branch
    @AntObi
    AntObi authored Nov 21, 2024
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  2. Download crystal space optional dependencies in ci

    @AntObi
    AntObi committed Nov 21, 2024
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  3. Remove upper bounds restriction on pymatgen

    @AntObi
    AntObi committed Nov 21, 2024
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  4. Run pre-commit

    @AntObi
    AntObi committed Nov 21, 2024
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  5. Skip mp_api test

    @AntObi
    AntObi committed Nov 21, 2024
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  6. Merge pull request #331 from WMD-group/fix_tests 

    Download crystal space optional dependencies in ci
    @AntObi
    AntObi authored Nov 21, 2024
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  7. Try MP_API_KEY in Github Actions

    @AntObi
    AntObi committed Nov 21, 2024
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  8. Restrict pydantic version

    @AntObi
    AntObi committed Nov 21, 2024
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  9. Fix path to stable structure dataset

    @AntObi
    AntObi committed Nov 21, 2024
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  10. Skip crystal space mp_api test on windows

    @AntObi
    AntObi committed Nov 21, 2024
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  11. Update smact/tests/test_utils.py 

    Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com>
    @AntObi @coderabbitai
    AntObi and coderabbitai[bot] authored Nov 21, 2024
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  12. Update skipping tests for mp_api

    @AntObi
    AntObi committed Nov 21, 2024
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  13. Merge pull request #332 from WMD-group/fix_tests 

    Try MP_API_KEY in Github Actions
    @AntObi
    AntObi authored Nov 21, 2024
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  14. Update conf.py

    @AntObi
    AntObi committed Nov 21, 2024
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  15. Run pre-commit

    @AntObi
    AntObi committed Nov 21, 2024
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  16. Add featurisers as an optional dependency

    @AntObi
    AntObi committed Nov 21, 2024
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  17. Update notebooks

    @AntObi
    AntObi committed Nov 21, 2024
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  18. Remove 3.9 from classifiers

    @AntObi
    AntObi committed Nov 21, 2024
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  19. Merge pull request #333 from WMD-group/documentation_fix 

    Fix the documentation
    @AntObi
    AntObi authored Nov 21, 2024
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  20. Update smact installation

    @AntObi
    AntObi committed Nov 21, 2024
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Commits on Nov 22, 2024

  1. Add visualisation and strict dependencies

    @AntObi
    AntObi committed Nov 22, 2024
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  2. Update colab notebook link

    @AntObi
    AntObi committed Nov 22, 2024
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Commits on Nov 25, 2024

  1. Update requirements

    @AntObi
    AntObi committed Nov 25, 2024
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  2. Relabel old ICSD ox states to 2016 ICSD

    @AntObi
    AntObi committed Nov 25, 2024
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  3. Fix parse_spec to handle X+/X-

    @AntObi
    AntObi committed Nov 25, 2024
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  4. Accurately label pymatgen structure prediction ox states

    @AntObi
    AntObi committed Nov 25, 2024
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  5. Provide option to get the occurence df sorted

    @AntObi
    AntObi committed Nov 25, 2024
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  6. Update tutorial.rst

    @AntObi
    AntObi committed Nov 25, 2024
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  7. Add tutorial notebook for using CISD oxidation state filter

    @AntObi
    AntObi committed Nov 25, 2024
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  8. Fix vulnerability

    @AntObi
    AntObi committed Nov 25, 2024
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  9. Merge pull request #334 from WMD-group/documentation_fix 

    Fix documentation and tutorial notebooks ahead of new release
    @AntObi
    AntObi authored Nov 25, 2024
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