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Clean up CONTRIBUTING.md docs and change _is_named_isotope getattr default value #4174

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merged 7 commits into from
Nov 15, 2024

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DanielYang59
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@DanielYang59 DanielYang59 commented Nov 15, 2024

  • [I believe this would not be breaking] The default value as False over None might be more conventional (we should not use truthy to check None):
    # When the `_is_named_isotope` doesn't have `_is_named_isotope`,
    # we're effectively checking `if None`
    - if getattr(obj, "_is_named_isotope", None):
    + if getattr(obj, "_is_named_isotope", False):
  • Recommend Google Style Docstring in CONTRIBUTING.md
  • Clarify usage of PMG_TEST_FILES_DIR when running unit test
  • Fix internal indexes


```sh
git clone https://github.com/<username>/pymatgen

# (Alternative/Much Faster) If you don't need a full commit history/other branches
# git clone --depth 1 https://github.com/<username>/pymatgen
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I think it might be good to provide this alternative as I think most new contributors don't really need the complete commit history or other branches, they would just branch from main.

To clone the complete repo:

git clone https://github.com/materialsproject/pymatgen.git  48.11s user 15.68s system 69% cpu 1:31.62 total

Depth one clone:

git clone https://github.com/materialsproject/pymatgen.git --depth 1  7.60s user 2.75s system 31% cpu 32.622 total

@DanielYang59 DanielYang59 marked this pull request as ready for review November 15, 2024 06:13
@DanielYang59 DanielYang59 marked this pull request as draft November 15, 2024 10:21
@DanielYang59 DanielYang59 marked this pull request as ready for review November 15, 2024 10:23

```sh
cd path/to/repo
pip install -e . # install the package in your environment as "editable" == dev package
PMG_TEST_FILES_DIR=$(pwd)/tests/files pytest tests # run the test suite providing the path for the datafiles
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@DanielYang59 DanielYang59 Nov 15, 2024

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I believe setting PMG_TEST_FILES_DIR is not needed for editable mode, however we might still leave the "non-editable install + set PMG_TEST_FILES_DIR" as an option here, as there might be users who want to install the package in non-editable mode but still run tests, say people who don't intend to develop pymatgen and just run tests to verify pymatgen integration.

@shyuep shyuep merged commit 860e931 into materialsproject:master Nov 15, 2024
43 checks passed
@DanielYang59 DanielYang59 deleted the cleanup-contribute-docs branch November 16, 2024 02:38
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2 participants