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phonopy

Phonon code

https://github.com/phonopy/phonopy

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    13 of 53 committers (24.5%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (11.5%) to scientific vocabulary

Keywords from Contributors

materials-science materials-informatics materials distribution mesh molecular-dynamics-simulation energy-system-model density-functional-theory closember names
Last synced: 10 months ago · JSON representation

Repository

Phonon code

Basic Info
Statistics
  • Stars: 425
  • Watchers: 26
  • Forks: 245
  • Open Issues: 10
  • Releases: 0
Created over 13 years ago · Last pushed 10 months ago
Metadata Files
Readme License

README.md

Version Badge Downloads Badge PyPI codecov

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

Owner

  • Name: phonopy
  • Login: phonopy
  • Kind: organization

GitHub Events

Total
  • Issues event: 59
  • Watch event: 63
  • Delete event: 153
  • Member event: 1
  • Issue comment event: 160
  • Push event: 440
  • Pull request event: 278
  • Fork event: 26
  • Create event: 173
Last Year
  • Issues event: 59
  • Watch event: 63
  • Delete event: 153
  • Member event: 1
  • Issue comment event: 160
  • Push event: 440
  • Pull request event: 278
  • Fork event: 26
  • Create event: 173

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 3,247
  • Total Committers: 53
  • Avg Commits per committer: 61.264
  • Development Distribution Score (DDS): 0.1
Past Year
  • Commits: 148
  • Committers: 7
  • Avg Commits per committer: 21.143
  • Development Distribution Score (DDS): 0.304
Top Committers
Name Email Commits
Atsushi Togo a****o@g****m 2,923
P.T. Jochym p****m@i****l 90
pre-commit-ci[bot] 6****] 51
tvv28669 c****t@s****k 18
jiyuang j****g@m****m 14
Michael Lamparski d****e@g****m 13
Danny Rehn d****n@g****m 11
neukirchen-212 7****2 11
Antti Karttunen a****n@i****i 11
Ben Hourahine b****e@s****k 9
Kiran Mathew k****w@l****v 8
Paweł T. Jochym j****m 7
__sp__ s****p@g****m 7
Tiziano Müller t****r@c****h 7
Florian Knoop k****p@f****e 5
Kapil Gupta k****l@a****m 4
jiyuyang 1****1@q****m 4
djmolikst 6****t 3
hongriTianqi z****1@1****m 3
jiyuang j****g@m****n 3
Florian Knoop k****o@g****m 3
neukirchen a****n@f****e 3
Atsushi Togo t****o@g****b 2
eugene e****i@m****u 2
__sp__ o****p@e****u 2
Erik Fransson k****n@g****m 2
dependabot[bot] 4****] 2
Janine George J****o 2
ladyteam r****i@h****m 2
lebecki l****i@f****l 2
and 23 more...
Committer Domains (Top 20 + Academic)
fhi-berlin.mpg.de: 2 ifj.edu.pl: 1 stfc.ac.uk: 1 mail.ustc.com: 1 iki.fi: 1 strath.ac.uk: 1 lbl.gov: 1 chem.uzh.ch: 1 abc.com: 1 qq.com: 1 163.com: 1 mail.ustc.edu.cn: 1 fz-juelich.de: 1 gpu1.tanaka.lab: 1 mail.ioffe.ru: 1 eng.ucsd.edu: 1 fuw.edu.pl: 1 timac.tanaka.lab: 1 juelich.kuins.net: 1 temac.tanaka.lab: 1 physik.hu-berlin.de: 1 rwth-aachen.de: 1 univie.ac.at: 1

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 89
  • Total pull requests: 523
  • Average time to close issues: 4 months
  • Average time to close pull requests: 3 days
  • Total issue authors: 72
  • Total pull request authors: 34
  • Average comments per issue: 2.88
  • Average comments per pull request: 0.67
  • Merged pull requests: 474
  • Bot issues: 1
  • Bot pull requests: 134
Past Year
  • Issues: 36
  • Pull requests: 259
  • Average time to close issues: 3 days
  • Average time to close pull requests: about 4 hours
  • Issue authors: 33
  • Pull request authors: 17
  • Average comments per issue: 2.47
  • Average comments per pull request: 0.36
  • Merged pull requests: 234
  • Bot issues: 0
  • Bot pull requests: 72
View more stats
Top Authors
Issue Authors
  • atztogo (9)
  • JaGeo (3)
  • naik-aakash (3)
  • Liang1Kai (2)
  • lan496 (2)
  • flokno (2)
  • pablogila (2)
  • yurivict (2)
  • rashigeek (2)
  • 16hchung (1)
  • MajestyV (1)
  • Soumyadip615 (1)
  • stenczelt (1)
  • haiyuanwang2020 (1)
  • phyjz (1)
Pull Request Authors
  • atztogo (311)
  • pre-commit-ci[bot] (142)
  • ladyteam (13)
  • scohenjanes5 (9)
  • Liang-jianxin (9)
  • Andrew-S-Rosen (6)
  • 1041176461 (6)
  • quantumsteve (5)
  • hongriTianqi (5)
  • naik-aakash (4)
  • Shibu778 (3)
  • janosh (3)
  • dmt4 (3)
  • chazeon (3)
  • visika (3)
Top Labels
Issue Labels
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 351,700 last-month
  • Total dependent packages: 34
  • Total dependent repositories: 55
  • Total versions: 210
  • Total maintainers: 3
pypi.org: phonopy

This is the phonopy module.

  • Versions: 210
  • Dependent Packages: 34
  • Dependent Repositories: 55
  • Downloads: 351,700 Last month
  • Docker Downloads: 0
Rankings
Dependent packages count: 0.5%
Docker downloads count: 1.9%
Dependent repos count: 2.0%
Average: 2.5%
Downloads: 3.5%
Stargazers count: 3.6%
Forks count: 3.7%
Maintainers (3)
atztogo jochym lan496
Last synced: 10 months ago

Dependencies

dev-requirements.txt pypi
  • numpy *
requirements.txt pypi
  • PyYAML *
  • h5py *
  • matplotlib >=2.2.2
  • numpy >=1.15.0
  • spglib *
setup.py pypi
  • PyYAML *
  • h5py *
  • matplotlib >=2.2.2
  • numpy >=1.15.0
  • spglib *
.github/workflows/phonopy-pytest-conda-openmp-site-cfg.yml actions
  • actions/checkout v2 composite
  • codecov/codecov-action v1 composite
  • conda-incubator/setup-miniconda v2 composite
.github/workflows/phonopy-pytest-conda-openmp.yml actions
  • actions/checkout v2 composite
  • codecov/codecov-action v1 composite
  • conda-incubator/setup-miniconda v2 composite
.github/workflows/phonopy-pytest-conda.yml actions
  • actions/checkout v2 composite
  • codecov/codecov-action v1 composite
  • conda-incubator/setup-miniconda v2 composite
.github/workflows/publish-gh-pages.yml actions
  • actions/checkout v2 composite
  • conda-incubator/setup-miniconda v2 composite
  • peaceiris/actions-gh-pages v3 composite
.github/workflows/publish-to-test-pypi.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
  • pypa/gh-action-pypi-publish release/v1 composite
pyproject.toml pypi