[Todo: write setup instructions]
[also todo: come up with a better name for this repo/tool]
To install dependencies:
pip install -r requirements.txt
Potential dependencies (TBD):
- pydantic
- pint
- h5py
- pymatgen
- typing
- numpy
- matplotlib
- pandas
- pyzotero
- plotly
- bokeh
- scipy
- scikit-learn
- mypy
- sphinx
- pyvista
- mayavi
For developers, also install dev requirements:
pip install -r requirements-dev.txt
Developer dependencies:
- pre-commit
- flake8
- black
- isort
- pytest
- pip-compile
- pipreqs