Metadata-Version: 2.4
Name: phono3py
Version: 3.30.0
Summary: This is the phono3py module.
Author-Email: Atsushi Togo <atztogo@gmail.com>
License-Expression: BSD-3-Clause
License-File: LICENSE
Project-URL: Homepage, https://phonopy.github.io/phono3py/
Project-URL: Repository, https://github.com/phonopy/phono3py
Requires-Python: >=3.10
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: PyYAML
Requires-Dist: matplotlib
Requires-Dist: h5py
Requires-Dist: spglib>=2.5.0
Requires-Dist: phonopy<3.6.0,>=3.5.0
Description-Content-Type: text/markdown

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# 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 `pyproject.toml`.

## Development

The development of phono3py is managed on the `develop` branch of github
phono3py repository.

- Github issues is the place to discuss about phono3py issues.
- Github pull request is the place to request merging source code.
- Formatting rules are found in `pyproject.toml`.
- Not strictly, but VSCode's `settings.json` may be written like below

  ```json
  "ruff.lint.args": [
      "--config=${workspaceFolder}/pyproject.toml",
  ],
  "[python]": {
      "editor.defaultFormatter": "charliermarsh.ruff",
      "editor.codeActionsOnSave": {
          "source.organizeImports": "explicit"
      }
  },
  ```

- Use of pre-commit (https://pre-commit.com/) is encouraged.
  - Installed by `pip install pre-commit`, `conda install pre_commit` or see
    https://pre-commit.com/#install.
  - pre-commit hook is installed by `pre-commit install`.
  - pre-commit hook is run by `pre-commit run --all-files`.

## Documentation

Phono3py user documentation is written using python sphinx. The source files are
stored in `doc` directory. Please see how to write the documentation at
`doc/README.md`.

## How to run tests

Tests are written using pytest. To run tests, pytest has to be installed. The
tests can be run by

```bash
% pytest
```
