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Open Source Science

https://github.com/aiidateam/aiida-sssp-workflow

sssp verification workflows

https://github.com/aiidateam/aiida-sssp-workflow

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 (8.7%) to scientific vocabulary
Last synced: 11 months ago · JSON representation

Repository

sssp verification workflows

Basic Info
  • Host: GitHub
  • Owner: aiidateam
  • License: mit
  • Language: Python
  • Default Branch: main
  • Size: 22.2 MB
Statistics
  • Stars: 5
  • Watchers: 2
  • Forks: 2
  • Open Issues: 8
  • Releases: 0
Created over 5 years ago · Last pushed 11 months ago
Metadata Files
Readme Changelog License

README.md

SSSP workflow

Documentation Status

For maintainers

To create a new release, clone the repository, install development dependencies with pip install '.[dev]', and then execute bumpver update. This will:

  1. Create a tagged release with bumped version and push it to the repository.
  2. Trigger a GitHub actions workflow that creates a GitHub release.

Additional notes:

  • Use the --dry option to preview the release change.
  • The release tag (e.g. a/b/rc) is determined from the last release. Use the --tag option to switch the release tag.

Logger level

The aiida-core logger level is recommened to set to REPORT as default. In workflow, process related messages are pop to daemon logger in REPORT level. If process finished with none-zero exit_code, log a waring message. While for debug purpose, the INFO level is for showing the parameters infomations when processes are launched.

Issues of version

  • v3.0.1:
    • nowf not turned on for saving inode purpose, fixed in next version
    • the dual value of NC/SL is 8 for precision measure and bands for norm-conserving pseudopotentials, better to be 4. fixed in next version
    • the dual value for high dual elements is 8 for non-NC pseudopotentials, better to be 16. fixed in next version

License

MIT

Contact

📧 email: jusong.yu@psi.ch

Owner

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

The development team of AiiDA

GitHub Events

Total
  • Watch event: 2
  • Delete event: 2
  • Push event: 76
  • Pull request review event: 1
  • Pull request event: 8
  • Create event: 3
Last Year
  • Watch event: 2
  • Delete event: 2
  • Push event: 76
  • Pull request review event: 1
  • Pull request event: 8
  • Create event: 3

Committers

Last synced: over 1 year ago

All Time
  • Total Commits: 323
  • Total Committers: 2
  • Avg Commits per committer: 161.5
  • Development Distribution Score (DDS): 0.003
Past Year
  • Commits: 9
  • Committers: 2
  • Avg Commits per committer: 4.5
  • Development Distribution Score (DDS): 0.111
Top Committers
Name Email Commits
Jusong Yu j****u@g****m 322
Weiguo Jing 3****w 1

Issues and Pull Requests

Last synced: over 1 year ago

All Time
  • Total issues: 47
  • Total pull requests: 106
  • Average time to close issues: 2 months
  • Average time to close pull requests: 5 days
  • Total issue authors: 1
  • Total pull request authors: 4
  • Average comments per issue: 0.49
  • Average comments per pull request: 0.07
  • Merged pull requests: 98
  • Bot issues: 0
  • Bot pull requests: 3
Past Year
  • Issues: 0
  • Pull requests: 8
  • Average time to close issues: N/A
  • Average time to close pull requests: 18 days
  • Issue authors: 0
  • Pull request authors: 4
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 5
  • Bot issues: 0
  • Bot pull requests: 3
View more stats
Top Authors
Issue Authors
  • unkcpz (47)
  • jingslaw (1)
Pull Request Authors
  • unkcpz (104)
  • pre-commit-ci[bot] (4)
  • dependabot[bot] (2)
  • jingslaw (1)
Top Labels
Issue Labels
enhancement (5) bug (3) blocked (1)
Pull Request Labels
dependencies (2)

Dependencies

.github/workflows/ci.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
.github/workflows/release.yml actions
  • actions/checkout v2 composite
  • actions/download-artifact v2 composite
  • actions/setup-python v2 composite
  • actions/upload-artifact v2 composite
  • pypa/gh-action-pypi-publish release/v1 composite
  • softprops/action-gh-release v0.1.14 composite
.github/workflows/ci-nightly.yml actions
  • actions/cache v1 composite
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
  • eWaterCycle/setup-singularity v7 composite
  • rabbitmq 3.8.14-management docker
pyproject.toml pypi
setup.py pypi