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Add a (minimal) test suite #5

Merged
merged 8 commits into from
May 28, 2024
Merged

Add a (minimal) test suite #5

merged 8 commits into from
May 28, 2024

Commits on May 28, 2024

  1. Drop max pylint Python version to 3.11 

    3.12 can have trouble installing euphonic dependency
    @ajjackson
    ajjackson committed May 28, 2024
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  2. Drop license header, shebang from get_energy. Project LICENSE is ok

    @ajjackson
    ajjackson committed May 28, 2024
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  3. Add a simple unit test for get_energy

    @ajjackson
    ajjackson committed May 28, 2024
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  4. Pytest workflow

    @ajjackson
    ajjackson committed May 28, 2024
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  5. Pylint the main code, not the unit tests

    @ajjackson
    ajjackson committed May 28, 2024
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  6. Lint the tests with flake8-pytest-style 

    This is a bit less strict overall than pylint, but enforces pytest idioms
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    ajjackson committed May 28, 2024
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  7. Test get_energy main() call

    @ajjackson
    ajjackson committed May 28, 2024
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  8. Update README: mention unit tests, drop ase-convert

    @ajjackson
    ajjackson committed May 28, 2024
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