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@@ -60,13 +60,21 @@ To modify the settings for these calculation, you can directly edit the source c | |
When you make serious modifications to Tiny DFT, you can run the unit tests to | ||
make sure the original features still work. | ||
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For this, you first need to install [pytest](https://pytest.org/): | ||
For this, you first need to install [pytest](https://pytest.org/) in a development setup. | ||
For example: | ||
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```bash | ||
python3 -m pip install pytest pytest-cov pytest-regressions pandas --upgrade | ||
git clone [email protected]:theochem/tinydft.git | ||
cd tinydft | ||
python3 -m venv venv | ||
source venv/bin/activate | ||
python3 -m pip install -e .[dev] | ||
pre-commit install | ||
pytest | ||
``` | ||
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See [the QC-Devs Contributor Guide](https://github.com/theochem/.github/blob/main/CONTRIBUTING.md) for more details. | ||
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## Programming assignments | ||
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