Sumo provides heavy-weight plotting tools specifically designed for analyzing ab initio solid-state calculations. It focuses on generating high-quality visualizations for electronic band structures, density of states (DOS), and phonon properties, often integrating seamlessly with `pymatgen` objects. The current version is 2.4.0.post1, and the library maintains an active release cadence, frequently addressing compatibility with its core dependencies like `pymatgen` and `phonopy`.
pip install sumoVerified import paths — ran on the pinned version, not inferred.
This quickstart demonstrates how to use `sumo.plotting` functions for a band structure and density of states. In a real application, the `BandStructure` and `Dos` objects would typically be loaded from DFT calculation outputs using `pymatgen` parsers (e.g., `pymatgen.io.vasp.Vasprun`). Sumo then takes these `pymatgen` objects to generate publication-quality plots. Note that `matplotlib.pyplot.close()` is used to prevent figures from blocking execution in environments without an active GUI.
Upgrade your Python environment to 3.10 or later (`python -m pip install --upgrade python` or use `pyenv`/`conda`).
Ensure you are using a `sumo` version compatible with your `pymatgen` and `phonopy` versions. Check `sumo`'s `setup.py` or release notes for dependency requirements. Upgrade `sumo` and its dependencies regularly.
Upgrade `sumo` to version 2.4.0 or newer to use an updated `phonopy` API (`pip install --upgrade sumo`).
Treat `2.4.0.post1` as functionally identical to `2.4.0` in terms of code behavior. There's no need to downgrade or worry about functional differences unless specifically mentioned in release notes.