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# phono3py
A simulation package of phonon-phonon interaction related properties. Phono3py
user documentation is found at http://phonopy.github.io/phono3py/.
A simulation package of phonon-phonon interaction related properties mainly
written in python. Phono3py user documentation is found at
http://phonopy.github.io/phono3py/.
## Mailing list for questions
Usual phono3py questions should be sent to phonopy mailing list
(https://sourceforge.net/p/phonopy/mailman/).
## Dependency
See `requirements.txt`. Optionally `symfc` and `scipy` are required
for using additional features.
## Development
The development of phono3py is managed on the `develop` branch of github
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- Github issues is the place to discuss about phono3py issues.
- Github pull request is the place to request merging source code.
- Python 3.7 is the minimum requirement.
- Formatting is written in `pyproject.toml`.
- Not strictly, but VSCode's `settings.json` may be written like
- Formatting rules are found in `pyproject.toml`.
- Not strictly, but VSCode's `settings.json` may be written like below
```json
"python.linting.flake8Enabled": true,
"python.linting.flake8Args": ["--max-line-length=88", "--ignore=E203,W503"],
"python.linting.enabled": true,
"python.linting.pylintEnabled": false,
"python.linting.mypyEnabled": true,
"python.linting.pycodestyleEnabled": false,
"python.linting.pydocstyleEnabled": true,
"python.formatting.provider": "black",
"python.formatting.blackArgs": ["--line-length=88"],
"python.sortImports.args": ["--profile", "black"],
"ruff.lint.args": [
"--config=${workspaceFolder}/pyproject.toml",
],
"[python]": {
"editor.defaultFormatter": "charliermarsh.ruff",
"editor.codeActionsOnSave": {
"source.organizeImports": true
},
}
"source.organizeImports": "explicit"
}
},
```
- Use of pre-commit (https://pre-commit.com/) is encouraged.
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## How to run tests
You need pytest. At home directory of phono3py after setup,
Tests are written using pytest. To run tests, pytest has to be installed. The
tests can be run by
```bash
% pytest