Phonopy
Phonon code mainly written in Python, with the compute-intensive parts handled by the Rust backend (phonors). Phonopy user documentation is found at http://phonopy.github.io/phonopy/
Installation
See https://phonopy.github.io/phonopy/install.html.
Mailing list for questions
Usual phonopy questions should be sent to phonopy mailing list (https://sourceforge.net/p/phonopy/mailman/).
Development
The development of phonopy is managed on the main branch of the github phonopy
repository.
- Github issues is the place to discuss about phonopy issues.
- Github pull request is the place to request merging source code.
- Architecture principles and the migration plan toward v5/v6 are documented at https://phonopy.github.io/phonopy/development.html.
Formatting
Formatting rules are found in pyproject.toml.
pre-commit
Pre-commit (https://pre-commit.com/) is mainly used for applying the formatting rules automatically. Therefore, it is strongly encouraged to use it at or before git-commit. Pre-commit is set-up and used in the following way:
- Installed by
pip install pre-commit,conda install pre-commitor 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.
Unless running pre-commit, pre-commit.ci may push the fix at PR by github action. In this case, the fix should be merged by the contributor's repository.
VSCode setting
-
Not strictly, but VSCode's
settings.jsonmay be written like below"ruff.lint.args": [ "--config=${workspaceFolder}/pyproject.toml", ], "[python]": { "editor.defaultFormatter": "charliermarsh.ruff", "editor.codeActionsOnSave": { "source.organizeImports": "explicit" } },
Documentation
Phonopy 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
% pytest
Release files for phonopy 4.10.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| phonopy-4.10.0.tar.gz | 5.8 MB | With provenance | Details for phonopy-4.10.0.tar.gz |
Built distributions (wheels)
Total release size: 26.3 MB
Release files / phonopy-4.10.0.tar.gz
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|---|---|
| Size | 5.8 MB |
| Tags | Source |
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Transparency logSecurity for phonopy 4.10.0
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