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refactor: use a more flexible interface to utilize diffpy.srfit
#33
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Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/setup-python@v5. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/
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