https://github.com/agoscinski/aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
Science Score: 13.0%
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Low similarity (11.3%) to scientific vocabulary
Last synced: 10 months ago
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Repository
Reusable widgets for AiiDAlab applications
Basic Info
- Host: GitHub
- Owner: agoscinski
- License: mit
- Default Branch: master
- Homepage: https://aiidalab-widgets-base.readthedocs.io/en/latest/
- Size: 1.05 MB
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Fork of aiidalab/aiidalab-widgets-base
Created about 1 year ago
· Last pushed about 1 year ago
https://github.com/agoscinski/aiidalab-widgets-base/blob/master/
[](https://aiidalab-widgets-base.readthedocs.io/en/latest/?badge=latest)
[](https://codecov.io/gh/aiidalab/aiidalab-widgets-base)
# AiiDAlab Widgets
[AiiDAlab](https://www.aiidalab.net/) applications typically involve some of following steps:
* Prepare the input for a calculation (e.g. an atomic structure).
* Select computational resources and submit a calculation to AiiDA.
* Monitor a running calculation.
* Find and analyze the results of a calculation.
The AiiDAlab widgets help with these common tasks.
## Documentation
Hosted on [aiidalab-widgets-base.readthedocs.io](https://aiidalab-widgets-base.readthedocs.io).
## For maintainers
To create a new release, clone the repository, install development dependencies with `pip install -e '.[dev]'`, and then execute `bumpver update [--major|--minor|--patch] [--tag-num --tag [alpha|beta|rc]]`.
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 and publishes it on PyPI.
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.
- This package follows [semantic versioning](https://semver.org/).
## License
MIT
## 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](https://doi.org/10.1016/j.commatsci.2020.110165)
## Contact
aiidalab@materialscloud.org
## 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](
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