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Allow compressed log files for parse_lammps_log #2134

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merged 2 commits into from
May 6, 2021

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ab5424
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@ab5424 ab5424 commented May 6, 2021

Summary

  • Change parsing lammps logs to zopen

Checklist

  • Code is in the standard Python style. The easiest way to handle this
    is to run the following in the correct sequence on your local machine. Start with running
    black on your new code. This will automatically reformat
    your code to PEP8 conventions and removes most issues. Then run
    pycodestyle, followed by
    flake8.
  • Docstrings have been added in the Google docstring format.
    Run pydocstyle on your code.
  • Type annotations are highly encouraged. Run mypy to type check your code.
  • Tests have been added for any new functionality or bug fixes.
  • All linting and tests pass.

Note 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. It is highly recommended that you use the pre-commit hook provided in the pymatgen
repository. Simply cp pre-commit .git/hooks and a check will be run prior to allowing commits.

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ab5424 commented May 6, 2021

I didn't add any new tests, but changed the existing tests to compressed files. Hope that's ok.

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Coverage Status

Coverage decreased (-0.7%) to 83.008% when pulling 419d911 on ab5424:lammps into 2ef73af on materialsproject:master.

@shyuep shyuep merged commit 570019d into materialsproject:master May 6, 2021
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shyuep commented May 6, 2021

Thanks.

@ab5424 ab5424 deleted the lammps branch May 10, 2021 08:22
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3 participants