mirror of https://github.com/phonopy/phonopy.git
80 lines
2.5 KiB
Markdown
80 lines
2.5 KiB
Markdown
[](https://anaconda.org/conda-forge/phonopy)
|
|
[](https://anaconda.org/conda-forge/phonopy)
|
|
[](https://pypi.python.org/pypi/phonopy)
|
|
[](https://codecov.io/gh/phonopy/phonopy)
|
|
|
|
# Phonopy
|
|
|
|
Phonon code mainly written in python. Phonopy user documentation is found at
|
|
http://phonopy.github.io/phonopy/
|
|
|
|
## Installation
|
|
|
|
See https://phonopy.github.io/phonopy/install.html.
|
|
|
|
## Dependency
|
|
|
|
It is necessary to install `symfc` and `seekpath` either via pip, conda, etc, to
|
|
utilize the respective additional features.
|
|
|
|
## 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 `develop` branch of github phonopy
|
|
repository.
|
|
|
|
- Github issues is the place to discuss about phonopy issues.
|
|
- Github pull request is the place to request merging source code.
|
|
|
|
### 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_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`.
|
|
|
|
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.json` may be written like below
|
|
|
|
```json
|
|
"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
|
|
|
|
```bash
|
|
% pytest
|
|
```
|