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Add warning if xfel-calibrate may not be reproducible

Merged Philipp Schmidt requested to merge feat/non-reproducible-warning into master

Description

This adds a warning to xfel-calibrate if the chosen configuration may cause the result not be reproducible by xfel_calibrate.repeat, currently based on the presence of argument line flags. The user is forced to confirm this by pressing ENTER except when the additional --not-reproducible flag is passed. In the future, we may also use the latter flag to disable other checks or work only relevant for reproducibility.

Also, there's a new flag --skip-env-freeze to skip the pip freeze stage, which obviously breaks reproducibility.

Most important question and the reason I tag @calibration: Do you think the wording is good enough?

How Has This Been Tested?

Extensive testing of the HED fast path.

Types of changes

  • New feature (non-breaking change which adds functionality)

Checklist:

Reviewers

@calibration

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