Materials Cloud interactive phonon visualization tools

This repository contains

• ./phonon-web-tools - a Python package that allows to convert raw QE phonon data into a web-friendly json file.
• ./mc-react-phonon-visualizer - a React component (PhononVisualizer) library to visualize the json file.
• ./interactive-phonon-app (WIP) - The Materials Cloud tool that uses the React component and the python tools.

Links

• Old version of the tool: https://github.com/materialscloud-org/tools-phonon-dispersion

Making new releases

• phonon-web-tools:

  • Update version, commit and create a tag starting with py-v, push to Github.

    > cd phonon-web-tools
    > uv version --bump [major|minor|patch]
    ... => X.Y.Z
    > TAG="py-vX.Y.Z" && git add . && git commit -m "Release $TAG" && git tag $TAG -m $TAG
    > git push --follow-tags

  • A Github action will detect the tag py-vX.Y.Z and publish to PYPI.

• mc-react-phonon-visualizer:

  • Update version, commit and create a tag starting with js-v, push to Github.

    > cd mc-react-phonon-visualizer
    > npm version [major|minor|patch]
    vX.Y.Z
    > TAG="js-vX.Y.Z" && git add . && git commit -m "Release $TAG" && git tag $TAG -m $TAG
    > git push --follow-tags

  • A Github action will detect the tag js-vX.Y.Z and publish to npm.