Awesome

aiida-qe-demo

A demonstration tutorial of using aiida-quantumespresso

Building the documentation

To build the documentation, first install the dependencies in a conda environment (using mamba to resolve dependencies):

mamba env create -f environment.yml
conda activate aiida-qe-demo

Then, build the documentation:

sphinx-build -nW --keep-going -b html tutorial tutorial/_build/html

Note that the first time you build the documentation, it will take a while to execute all the notebooks. But subsequent builds will be much faster, as the notebooks will be cached.