Meta package for the AiiDA lab python environment.
aiidalab metapackage sets up the python environment found on the
Amongst others, this includes
- a wide range of aiida plugins
The relevant jupyter notebook extensions are enabled automatically.
Note: This is the development version for AiiDA 1.0.
# 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
# install latest version from github pip install git+https://github.com/aiidalab/aiidalab-metapkg jupyter nbextension install --sys-prefix --py fileupload
pip install -e . does not process the
data_files and thus does not enable the jupyter extensions.
Start by adjusting the
Pipfile according to the latest releases.
pip install pipenv pipenv lock # Pipfile.lock pipenv lock --requirements > requirements.txt_stable # To extract the dependencies of the stable packages pipenv lock --dev --requirements > requirements.txt_dev # To extract the dependencies of the development packages cat requirements.txt_stable requirements.txt_dev | sort | uniq > requirements.txt
Note: We try to keep the number of explicit dependencies in the
Pipfile to a minimum.
Consider using pipdeptree to figure out the dependency tree and which dependencies are actually needed.
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.
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