https://github.com/aiidateam/aiida-abinit
Science Score: 26.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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○Academic publication links
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○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (6.0%) to scientific vocabulary
Keywords from Contributors
Repository
Basic Info
- Host: GitHub
- Owner: aiidateam
- License: other
- Language: Python
- Default Branch: master
- Size: 355 KB
Statistics
- Stars: 2
- Watchers: 3
- Forks: 3
- Open Issues: 1
- Releases: 2
Metadata Files
README.md
aiida-abinit
This is an AiiDA plugin for ABINIT.
Installation
To install from PyPI, simply execute:
pip install aiida-abinit
To install from source, execute:
git clone https://github.com/sponce24/aiida-abinit
pip install aiida-abinit
Pseudopotentials
Pseudopotentials are installed and managed through the aiida-pseudo plugin.
The easiest way to install pseudopotentials is to install a version of the PseudoDojo through the CLI of aiida-pseudo.
To install the default PseudoDojo version, run:
aiida-pseudo install pseudo-dojo
List the installed pseudopotential families with the command aiida-pseudo list.
Acknowledgements
This work was supported by the the European Unions Horizon 2020 Research and Innovation Programme, under the Marie Skłodowska-Curie Grant Agreement SELPH2D No. 839217.
License
MIT
Contact
aiida-abinit is developed and maintained by
- Samuel Poncé - samuel.pon@gmail.com
- Guido Petretto
- Austin Zadoks - austin.zadoks@epfl.ch
Owner
- Name: AiiDA team
- Login: aiidateam
- Kind: organization
- Website: http://www.aiida.net
- Repositories: 63
- Profile: https://github.com/aiidateam
The development team of AiiDA
GitHub Events
Total
- Push event: 5
- Pull request event: 3
- Create event: 1
Last Year
- Push event: 5
- Pull request event: 3
- Create event: 1
Committers
Last synced: about 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| Samuel Ponce | s****n@g****m | 30 |
| Austin Zadoks | a****s@p****e | 27 |
| Austin Zadoks | z****7@g****m | 23 |
| Sebastiaan Huber | m****l@s****t | 8 |
| Sebastiaan Huber | a****r@m****m | 5 |
| Guido Petretto | g****o@g****m | 1 |
| Chris Sewell | c****l@h****m | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: about 1 year ago
All Time
- Total issues: 6
- Total pull requests: 20
- Average time to close issues: 3 months
- Average time to close pull requests: about 2 months
- Total issue authors: 5
- Total pull request authors: 4
- Average comments per issue: 1.67
- Average comments per pull request: 0.15
- Merged pull requests: 19
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 1
- Average time to close issues: N/A
- Average time to close pull requests: about 4 hours
- Issue authors: 0
- Pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- azadoks (2)
- ahkole (1)
- sphuber (1)
- ltalirz (1)
- chrisjsewell (1)
Pull Request Authors
- azadoks (11)
- sphuber (9)
- chrisjsewell (1)
- gpetretto (1)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- actions/cache v1 composite
- actions/checkout v1 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- postgres 10 docker
- rabbitmq latest docker
- actions/cache v1 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- postgres 10 docker
- rabbitmq latest docker
- actions/cache v1 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- postgres 12 docker
- rabbitmq latest docker
- abipy >=0.8.0
- aiida-pseudo ~=0.6.1
- aiida_core [atomic_tools]~=1.6.3,<3.0.0
- importlib_resources *
- numpy *
- packaging *
- psycopg2-binary ~=2.8.3
- pymatgen >=2022.1.20