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aiidalab app of the plugin aiida-sssp-workflow to run the pseudopotential verfications.

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aiidalab/aiidalab-sssp

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Application sssp workflow

The aiidalab plugin to running sssp workflow

Installation

This jupyter-based app is intended to run in AiiDA lab

Usage

Here may go a few sreenshots / animated gifs illustrating how to use the app.

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.

License

MIT

Contact

📧 email: jusong.yu@epfl.ch