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Open Source Science

https://github.com/aiidateam/aiida-pseudo

https://github.com/aiidateam/aiida-pseudo

Science Score: 26.0%

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
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (8.5%) to scientific vocabulary

Keywords from Contributors

aiida quantum-espresso materials-science common-workflows dft density-functional-theory abinit materials-informatics dfpt
Last synced: 10 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: aiidateam
  • License: mit
  • Language: Python
  • Default Branch: main
  • Size: 516 KB
Statistics
  • Stars: 6
  • Watchers: 4
  • Forks: 13
  • Open Issues: 12
  • Releases: 0
Created about 6 years ago · Last pushed about 1 year ago
Metadata Files
Readme Changelog License

README.md

aiida-pseudo

PyPI version PyPI pyversions Build Status Docs status

AiiDA plugin that simplifies working with pseudopotentials. For more information on how to install and use the package, please consult the documentation.

Compatibility matrix

The following table shows which versions of aiida-pseudo are compatible with which versions of AiiDA and Python.

| Plugin | AiiDA | Python | |- |- |- | | v1.5.0 < v2.0.0 | Compatibility for v1.5 | PyPI pyversions | | v0.8.0 < v1.5.0 | Compatibility for v0.8 | PyPI pyversions | | v0.7.0 < v0.8.0 | Compatibility for v0.7 | PyPI pyversions | | v0.1.0 < v0.7.0 | Compatibility for v0.6 | PyPI pyversions |

License

The aiida-pseudo plugin package is released under the MIT license. See the LICENSE.txt file for more details.

Acknowledgements

We acknowledge support from:

NCCR MARVEL funded by the Swiss National Science Foundation EU Centre of Excellence MaX (Horizon 2020 EINFRA-5, Grant No. 676598) swissuniversities P-5 project "Materials Cloud"

Owner

  • Name: AiiDA team
  • Login: aiidateam
  • Kind: organization

The development team of AiiDA

GitHub Events

Total
  • Create event: 13
  • Commit comment event: 4
  • Issues event: 4
  • Watch event: 1
  • Delete event: 8
  • Issue comment event: 23
  • Push event: 30
  • Pull request review comment event: 24
  • Pull request review event: 31
  • Pull request event: 26
  • Fork event: 4
Last Year
  • Create event: 13
  • Commit comment event: 4
  • Issues event: 4
  • Watch event: 1
  • Delete event: 8
  • Issue comment event: 23
  • Push event: 30
  • Pull request review comment event: 24
  • Pull request review event: 31
  • Pull request event: 26
  • Fork event: 4

Committers

Last synced: 12 months ago

All Time
  • Total Commits: 180
  • Total Committers: 11
  • Avg Commits per committer: 16.364
  • Development Distribution Score (DDS): 0.228
Past Year
  • Commits: 22
  • Committers: 7
  • Avg Commits per committer: 3.143
  • Development Distribution Score (DDS): 0.636
Top Committers
Name Email Commits
Sebastiaan Huber m****l@s****t 139
Marnik Bercx m****x@g****m 24
Austin Zadoks z****7@g****m 5
Riccardo Bertossa r****s@m****m 2
Jusong Yu j****u@g****m 2
Emanuele Bosoni b****e@t****e 2
Michail Minotakis m****s@g****m 2
Samuel Poncé s****n@g****m 1
Miki Bonacci 4****i 1
Edan Bainglass 4****s 1
Daniel Hollas d****s@g****m 1
Committer Domains (Top 20 + Academic)
tcd.ie: 1 materys.com: 1 sphuber.net: 1

Issues and Pull Requests

Last synced: 11 months ago

All Time
  • Total issues: 46
  • Total pull requests: 100
  • Average time to close issues: 3 months
  • Average time to close pull requests: 15 days
  • Total issue authors: 16
  • Total pull request authors: 10
  • Average comments per issue: 3.67
  • Average comments per pull request: 1.66
  • Merged pull requests: 93
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 5
  • Pull requests: 21
  • Average time to close issues: 4 months
  • Average time to close pull requests: 3 days
  • Issue authors: 5
  • Pull request authors: 6
  • Average comments per issue: 1.8
  • Average comments per pull request: 1.1
  • Merged pull requests: 17
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • mbercx (16)
  • sphuber (9)
  • bosonie (4)
  • unkcpz (4)
  • zooks97 (2)
  • eimrek (1)
  • xernaf (1)
  • Angmar1989 (1)
  • csadorf (1)
  • chrisjsewell (1)
  • t-reents (1)
  • ltalirz (1)
  • atztogo (1)
  • edan-bainglass (1)
  • mikibonacci (1)
Pull Request Authors
  • sphuber (60)
  • mbercx (28)
  • Minotakm (4)
  • edan-bainglass (4)
  • danielhollas (2)
  • unkcpz (2)
  • QwertycowMoo (1)
  • bosonie (1)
  • zooks97 (1)
  • rikigigi (1)
Top Labels
Issue Labels
priority/nice to have (15) priority/important (9) type/enhancement (9) topic/cli (8) type/bug (7) type/requested feature (7) priority/critical (6) topic/cutoffs (5) topic/cli/install (5) topic/pseudos (4) type/refactoring (4) type/accepted feature (3) topic/families (2) topic/docs (2) topic/testing (1) type/question (1) topic/devops (1) type/dependencies (1) topic/dependencies (1)
Pull Request Labels
type/enhancement (3) priority/nice to have (2) topic/docs (1) topic/cutoffs (1) priority/important (1) topic/cli (1) pr/blocked (1)

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 9,736 last-month
  • Total docker downloads: 730
  • Total dependent packages: 12
    (may contain duplicates)
  • Total dependent repositories: 3
    (may contain duplicates)
  • Total versions: 27
  • Total maintainers: 1
pypi.org: aiida-pseudo

AiiDA plugin that simplifies working with pseudo potentials.

  • Versions: 25
  • Dependent Packages: 9
  • Dependent Repositories: 3
  • Downloads: 9,736 Last month
  • Docker Downloads: 730
Rankings
Dependent packages count: 1.2%
Docker downloads count: 2.4%
Downloads: 4.5%
Average: 8.7%
Dependent repos count: 9.0%
Forks count: 11.9%
Stargazers count: 23.0%
Maintainers (1)
sphuber
Last synced: 10 months ago
conda-forge.org: aiida-pseudo
  • Versions: 2
  • Dependent Packages: 3
  • Dependent Repositories: 0
Rankings
Dependent packages count: 15.6%
Dependent repos count: 34.0%
Average: 38.6%
Forks count: 47.7%
Stargazers count: 57.0%
Last synced: 11 months ago

Dependencies

.github/workflows/cd.yml actions
  • actions/cache v1 composite
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
  • postgres 12 docker
  • rabbitmq latest docker
.github/workflows/ci.yml actions
  • actions/cache v1 composite
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
  • postgres 12 docker
  • rabbitmq latest docker