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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 4.8.2

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 4.8.2
File Size Uploaded
phonopy-4.8.2.tar.gz 5.8 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for phonopy 4.8.2
File
phonopy-4.8.2-cp314-cp314t-win_arm64.whl CPython 3.14 CPython 3.14 free-threading Windows ARM64 Details
phonopy-4.8.2-cp314-cp314t-win_amd64.whl CPython 3.14 CPython 3.14 free-threading Windows x86-64 Details
phonopy-4.8.2-cp314-cp314t-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
phonopy-4.8.2-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-4.8.2-cp314-cp314t-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 free-threading macOS 11.0+ ARM64 Details
phonopy-4.8.2-cp314-cp314-win_arm64.whl CPython 3.14 CPython 3.14 Windows ARM64 Details
phonopy-4.8.2-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
phonopy-4.8.2-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-4.8.2-cp314-cp314-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
phonopy-4.8.2-cp314-cp314-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 macOS 11.0+ ARM64 Details
phonopy-4.8.2-cp313-cp313-win_arm64.whl CPython 3.13 CPython 3.13 Windows ARM64 Details
phonopy-4.8.2-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details
phonopy-4.8.2-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-4.8.2-cp313-cp313-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
phonopy-4.8.2-cp313-cp313-macosx_11_0_arm64.whl CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details
phonopy-4.8.2-cp312-cp312-win_arm64.whl CPython 3.12 CPython 3.12 Windows ARM64 Details
phonopy-4.8.2-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details
phonopy-4.8.2-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
phonopy-4.8.2-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-4.8.2-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
phonopy-4.8.2-cp311-cp311-win_arm64.whl CPython 3.11 CPython 3.11 Windows ARM64 Details
phonopy-4.8.2-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details
phonopy-4.8.2-cp311-cp311-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
phonopy-4.8.2-cp311-cp311-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
phonopy-4.8.2-cp311-cp311-macosx_11_0_arm64.whl CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details

Total release size: 26.0 MB

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Release history Release notifications | RSS feed

4.8.3

26 release files

This release

4.8.2 This release

26 release files

4.7.2

30 release files

4.7.1

30 release files

4.7.0

30 release files

4.6.0

30 release files

4.4.0

30 release files

4.3.0

30 release files

4.2.2

30 release files

4.2.1

30 release files

4.1.0

30 release files

4.0.1

30 release files

4.0.0

30 release files

3.5.1

30 release files

3.4.0

30 release files

3.3.0

30 release files

3.2.1

30 release files

3.2.0

30 release files

3.1.0

30 release files

2.45.0

1 release file

2.43.5

1 release file

2.43.3

1 release file

2.41.3

1 release file

2.40.0

1 release file

2.34.0

1 release file

2.33.4

1 release file

2.33.3

1 release file

2.33.2

1 release file

2.33.1

1 release file

2.33.0

1 release file

2.32.0

1 release file

2.31.2

1 release file

2.31.1

1 release file

2.31.0

1 release file

2.30.1

1 release file

2.30.0

1 release file

2.29.1

1 release file

2.29.0

1 release file

2.28.0

1 release file

2.27.0

1 release file

2.26.7

1 release file

2.26.6

1 release file

2.26.5

1 release file

2.26.4

1 release file

2.26.3

1 release file

2.26.2

1 release file

2.26.1

1 release file

2.26.0

1 release file

2.25.0

1 release file

2.24.3

1 release file

2.24.2

1 release file

2.24.1

1 release file

2.24.0

1 release file

2.23.1

1 release file

2.23.0

1 release file

2.22.1

1 release file

2.22.0

1 release file

2.21.2

1 release file

2.21.1

1 release file

2.21.0

1 release file

2.20.0

1 release file

2.19.1

1 release file

2.19.0

1 release file

2.18.0

1 release file

2.17.2

1 release file

2.17.1

1 release file

2.17.0

1 release file

2.16.3

1 release file

2.16.2

1 release file

2.16.1

1 release file

2.16.0

1 release file

2.15.1

1 release file

2.15.0

1 release file

2.14.0

1 release file

2.13.1

1 release file

2.13.0

1 release file

2.12.0

1 release file

2.11.0

1 release file

2.10.0

1 release file

2.9.3

1 release file

2.9.2

1 release file

2.9.1

9 release files

2.9.0

7 release files

2.8.1

7 release files

2.8.0

7 release files

2.7.1

7 release files

2.7.0

1 release file

2.6.0

1 release file

2.5.0

11 release files

2.4.2

11 release files

2.4.1

1 release file

2.3.2

2 release files

2.3.0

2 release files

2.2.0

2 release files

2.1.4

2 release files

2.1.3

2 release files

2.1.2

2 release files

2.1.1

2 release files

2.1.0

2 release files

2.0.0

2 release files

1.14.2

2 release files

1.14.0

2 release files

1.13.2

2 release files

1.12.8

2 release files

1.12.6

4 release files

1.12.0

4 release files

1.11.6

3 release files

1.11.2

2 release files

1.10.8

1 release file

1.10.1

1 release file

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