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skelton-group / Phonopy-Spectroscopy

A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
MIT License
142 stars 54 forks source link

Packaging #19

Open lucydot opened 1 year ago

lucydot commented 1 year ago

Hello,

This is an offer of help, but before I get started I want to know if the contribution would be welcome: I suggest packaging this project so that it can be distributed via PYPI. Not only will it make it easier for people to download, but it will also allow tracking of download stats (https://pypistats.org/) to understand how widely Phonopy-Spectroscopy is being used. It will include creating a pyproject.toml file and then uploading to PyPI (a good outline of the process can be found at https://carpentries-incubator.github.io/python_packaging/).

If @JMSkelton and team would welcome the contribution, I will fork the master branch and then put in a PR once implemented.

lucydot commented 1 year ago

Just to add a note on this. This could be automatically deployed once a version tag is created on the main repo branch, similar to the workflow implemented ThermoPot (https://github.com/NU-CEM/ThermoPot/blob/main/.github/workflows/build-n-publish.yml).