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Move pymca fitter service to python-zocalo #252

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@pblowey pblowey commented Jun 28, 2024

The pymca fitter zocalo service is used for automated analysis of X-ray fluorescence (XRF) experiments. Prior to this PR, it has existed in its own repository python-zocalo-pymca. This PR migrates the code from the standalone repository, to include it in python-zocalo with other, non-mx specific, services:

  • Migrate the pymca_fitter.py zocalo service file to the services directory
  • Migrate the "internals.py" file in the original directory to pymca_fitter.py in the utils directory of this repository.

Some changes are also made to the pymca fitter code after migration, as detailed below:

  • Remove automated email notifications sent out by the service.
  • Call gnuplot from the path instead of a specific location

@pblowey pblowey requested review from ndevenish and isikhar June 28, 2024 14:27
@pblowey pblowey self-assigned this Jun 28, 2024
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pblowey commented Jun 28, 2024

Still unsure of how to add the new xraylib and pymca dependencies. In testing, ran into issues having the dependencies listed in the pyproject.toml file, which I suspect is due to issues installing these dependencies from pip instead of from conda-forge. The required 4.1.4 version of xraylib is not available on PyPI and is only available from conda-forge.

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I assume that now you have gotten the repo working separately, that you don't need to do this?

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pblowey commented Jul 19, 2024

Yeah, we can close this now. Code has been kept in the python-zocalo-pymca repository.

@pblowey pblowey closed this Jul 19, 2024
@pblowey pblowey deleted the fb_pymca_fitter_service branch July 19, 2024 15:23
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2 participants