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Meta package for the AiiDA Lab python environment.

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Project description

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aiidalab-metapkg

The aiidalab metapackage sets up the python environment found on the AiiDA lab. Amongst others, this includes

  • aiida-core
  • a wide range of aiida plugins
  • jupyter
  • ...

Note: The relevant jupyter notebook extensions are enabled automatically.

Installation

# install latest version from pypi
pip install aiidalab
# note: pip can *enable* nbextensions [1,2], but not install them
jupyter nbextension install --sys-prefix --py fileupload

[1] See the jupyter-notebook documentation
[2] http://jupyter-contrib-nbextensions.readthedocs.io/en/latest/install.html

Testing

# install latest version from github
pip install git+https://github.com/aiidalab/aiidalab-metapkg
jupyter nbextension install --sys-prefix --py fileupload

Note: pip install -e . does not process the data_files and thus does not enable the jupyter extensions.

License

MIT

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 funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.

MARVEL MaX

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