| Name | phonopy JSON |
| Version |
2.33.3
JSON |
| download |
| home_page | None |
| Summary | This is the phonopy module. |
| upload_time | 2024-12-18 03:17:35 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.9 |
| license | Copyright (c) 2014-2024, Phonopy. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the phonopy project nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL <COPYRIGHT HOLDER> BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. |
| keywords |
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
numpy
PyYAML
matplotlib
h5py
spglib
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
[](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.
## 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
```
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