Development

The nomad-vis package is meant to be used in a jupyter notebook environment. This package using ipywidgets for creating the interactive elements and plotly and py3Dmol for the visualisaton of graphs and structures respectively.

Creating python environment for development

You can use conda/mamba or venv to create the Python 3.10 environment. For example, you can use the following command to create a mamba environment for development:

mamba create -n nomad-visu-dev python=3.10

Activate the environment:

mamba activate nomad-visu-dev

Install the all teh requirements:

pip install -r requirements-all.txt

Finally install the package itself:

pip install -e .

Update the development environment

Update the requirements using the following command:

pip-compile pip-compile --annotation-style=line --extra=dev --extra=docs --extra=test --output-file=requirements-all.txt pyproject.toml

To update the development environment, you can use the following command:

pip-sync requirements-all.txt

Building the documentation

From the root of the repository, you can build the documentation using the following command:

mkdocs build

or having a real-time preview of the documentation using the following command:

mkdocs serve