AiiDAlab - Home

The home app parses AiiDAlab apps present in $AIIDALAB_HOME and displays them using their start.py or start.md files.

Customization

The home app reads the following environment variables:

• AIIDALAB_APPS (default: /project/apps): Place apps in this folder
• AIIDALAB_HOME (default: /project): Place ssh credentials in this folder
• AIIDALAB_SCRIPTS (default: /opt): Currently unused

Citation

Users of AiiDAlab are kindly asked to cite the following publication in their own work:

A. V. Yakutovich et al., Comp. Mat. Sci. 188, 110165 (2021). DOI:10.1016/j.commatsci.2020.110165

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.

Acknowledgements

This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.