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1.8.0
PyPIaiida-phonopy
The official AiiDA plugin for Phonopy
Published21 Jul 2026
Direct dependencies26
Transitive dependenciesNot calculated
README
Version 1.8.0 documentationaiida-phonopy
This is the official AiiDA plugin for Phonopy.
| Reference |  |
| Latest release |   |
| Getting help |  |
| Build status |   |
| Activity |   |
| Community |  |
Compatibility
From v0.7.0 this plugin is not backward compatible with previous versions,
due to a restructuring of the package.
| Plugin | AiiDA | Phonopy |
|---|---|---|
>=v1.8 < v2.0 | >=v2.8 <v3.0 | >=v4.0 <v5.0 |
>=v1.5 < v1.7 | >=v2.8 <v3.0 | >=v3.0 <v4.0 |
>=v1.0 < v1.5 | >=v2.0 <v3.0 | >=v2.14 <v3.0 |
>=v0.7 < v1.0 | >=v1.6 <v2.0 | >=v2.14 <v3.0 |
Installation
To install from PyPI, simply execute:
pip install aiida-phonopy
or when installing from source:
git clone https://github.com/aiida-phonopy/aiida-phonopy
pip install .
How to cite
If you use this plugin for your research, please cite the following work:
- L. Bastonero and N. Marzari, Automated all-functionals infrared and Raman spectra, npj Computational Materials 10, 55 (2024)
Please, also cite the respective Phonopy and AiiDA references:
-
A. Togo, L. Chaput, T. Tadano, and Isao Tanaka, Implementation strategies in phonopy and phono3py, J. Phys. Condens. Matter 35, 353001-1-22 (2023)
-
A. Togo, First-principles Phonon Calculations with Phonopy and Phono3py, J. Phys. Soc. Jpn. 92, 012001-1-21 (2023)
-
S. P. Huber et al., AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance, Scientific Data 7, 300 (2020)
-
M. Uhrin et al., Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows, Computational Materials Science 187, 110086 (2021)
License
The aiida-phonopy plugin package is released under the MIT license.
See the LICENSE.txt file for more details.
Acknowlegements
We acknowledge support from:
- the U Bremen Excellence Chairs program funded within the scope of the Excellence Strategy of Germany’s federal and state governments;
- the MAPEX Center for Materials and Processes.
Downloads & popularity
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Declared dependencies 26
Native requirements26 direct targetsNot calculated transitive count
| Package / target | Requirement | Relationship |
|---|---|---|
aiida-coreEnvironment{
"extras": "",
"marker": null,
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | aiida-core~=2.8 | runtime |
phonopyEnvironment{
"extras": "",
"marker": null,
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | phonopy~=4.0 | runtime |
aiida-pythonjobEnvironment{
"extras": "",
"marker": null,
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | aiida-pythonjob~=0.5 | runtime |
seekpathEnvironment{
"extras": "",
"marker": null,
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | seekpath | runtime |
myst-nbEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | myst-nb~=1.0; extra == "docs" | runtime |
jupytextEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | jupytext<1.15.0,>=1.11.2; extra == "docs" | runtime |
sphinxEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx~=6.2.1; extra == "docs" | runtime |
sphinx-copybuttonEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-copybutton~=0.5.2; extra == "docs" | runtime |
sphinx-book-themeEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-book-theme~=1.0.1; extra == "docs" | runtime |
sphinx-clickEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-click~=4.4.0; extra == "docs" | runtime |
sphinx-designEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-design~=0.4.1; extra == "docs" | runtime |
sphinxcontrib-details-directiveEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinxcontrib-details-directive~=0.1.0; extra == "docs" | runtime |
sphinx-autoapiEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-autoapi~=3.0.0; extra == "docs" | runtime |
myst-parserEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | myst-parser~=3.0.0; extra == "docs" | runtime |
sphinx-togglebuttonEnvironment{
"extras": "",
"marker": "extra == \"docs\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | sphinx-togglebutton; extra == "docs" | runtime |
pre-commitEnvironment{
"extras": "",
"marker": "extra == \"pre-commit\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pre-commit~=2.17; extra == "pre-commit" | runtime |
pylintEnvironment{
"extras": "",
"marker": "extra == \"pre-commit\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pylint==2.17.2; extra == "pre-commit" | runtime |
pylint-aiidaEnvironment{
"extras": "",
"marker": "extra == \"pre-commit\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pylint-aiida~=0.1.1; extra == "pre-commit" | runtime |
tomlEnvironment{
"extras": "",
"marker": "extra == \"pre-commit\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | toml; extra == "pre-commit" | runtime |
aseEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | ase; extra == "tests" | runtime |
pgtestEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pgtest~=1.3; extra == "tests" | runtime |
pytestEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pytest~=8.4; extra == "tests" | runtime |
coverageEnvironment{
"extras": "toml",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | coverage[toml]; extra == "tests" | runtime |
pytest-covEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pytest-cov; extra == "tests" | runtime |
pytest-regressionsEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pytest-regressions~=2.8; extra == "tests" | runtime |
pytest-timeoutEnvironment{
"extras": "",
"marker": "extra == \"tests\"",
"requires_python": ">=3.10",
"evaluation": "NOT_EVALUATED"
} | pytest-timeout; extra == "tests" | runtime |
Distribution files
2 collectedaiida_phonopy-1.8.0-py3-none-any.whl
Source filebdist_wheel · 45.27 KB · Python py3
aiida_phonopy-1.8.0.tar.gz
Source filesdist · 258.89 KB · Python source
Repository
PENDINGaiida-phonopy/aiida-phonopy
Shared repository data · GitHub
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Metadata history
Meaningful changesRecord identity
package_version:967a43cf8302221e35890fe83fc97e5d235ebf03021aedbbcabe74b6d04b7bd0