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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-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

    "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

Metadata

Release files for phonopy 4.7.2

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for phonopy 4.7.2
File Size Uploaded
phonopy-4.7.2.tar.gz 5.6 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for phonopy 4.7.2
File
phonopy-4.7.2-cp314-cp314t-win_arm64.whl CPython 3.14 CPython 3.14 free-threading Windows ARM64 Details
phonopy-4.7.2-cp314-cp314t-win_amd64.whl CPython 3.14 CPython 3.14 free-threading Windows x86-64 Details
phonopy-4.7.2-cp314-cp314t-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
phonopy-4.7.2-cp314-cp314t-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.7.2-cp314-cp314t-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 free-threading macOS 11.0+ ARM64 Details
phonopy-4.7.2-cp314-cp314-win_arm64.whl CPython 3.14 CPython 3.14 Windows ARM64 Details
phonopy-4.7.2-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
phonopy-4.7.2-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
phonopy-4.7.2-cp314-cp314-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.7.2-cp314-cp314-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 macOS 11.0+ ARM64 Details
phonopy-4.7.2-cp313-cp313-win_arm64.whl CPython 3.13 CPython 3.13 Windows ARM64 Details
phonopy-4.7.2-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details
phonopy-4.7.2-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
phonopy-4.7.2-cp313-cp313-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.7.2-cp313-cp313-macosx_11_0_arm64.whl CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details
phonopy-4.7.2-cp312-cp312-win_arm64.whl CPython 3.12 CPython 3.12 Windows ARM64 Details
phonopy-4.7.2-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details
phonopy-4.7.2-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
phonopy-4.7.2-cp312-cp312-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.7.2-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
phonopy-4.7.2-cp311-cp311-win_arm64.whl CPython 3.11 CPython 3.11 Windows ARM64 Details
phonopy-4.7.2-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details
phonopy-4.7.2-cp311-cp311-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
phonopy-4.7.2-cp311-cp311-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
phonopy-4.7.2-cp311-cp311-macosx_11_0_arm64.whl CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details
phonopy-4.7.2-cp310-cp310-win_amd64.whl CPython 3.10 CPython 3.10 Windows x86-64 Details
phonopy-4.7.2-cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.10 CPython 3.10 Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
phonopy-4.7.2-cp310-cp310-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.7.2-cp310-cp310-macosx_11_0_arm64.whl CPython 3.10 CPython 3.10 macOS 11.0+ ARM64 Details

Total release size: 28.6 MB

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