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Fix blank line bug in io.res.ResWriter #3671

Merged
merged 4 commits into from
Mar 5, 2024
Merged

Fix blank line bug in io.res.ResWriter #3671

merged 4 commits into from
Mar 5, 2024

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stefsmeets
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Summary

This PR fixes two bugs in the res writer:

  • Fix 1: Add a blank line at the end of the file
  • Fix 2: Do not write a blank line if REMS is empty

Closes #3636

Checklist

  • Google format doc strings added. Check with ruff.
  • Type annotations included. Check with mypy.
  • Tests added for new features/fixes.

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

janosh
janosh approved these changes Mar 5, 2024
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nice work, thanks @stefsmeets! 👍

CI failure unrelated

@janosh janosh merged commit 26cf207 into materialsproject:master Mar 5, 2024
19 of 22 checks passed
@stefsmeets stefsmeets deleted the res-fix branch March 5, 2024 14:17
@janosh janosh added io Input/output functionality fix Bug fix PRs labels Apr 12, 2024
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@janosh janosh janosh approved these changes

@shyuep shyuep Awaiting requested review from shyuep shyuep is a code owner

@mkhorton mkhorton Awaiting requested review from mkhorton mkhorton is a code owner

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fix Bug fix PRs io Input/output functionality
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Successfully merging this pull request may close these issues.

pymatgen.io.res - compatibility issue with the AIRSS package.
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@stefsmeets @janosh