Add a routine for Fourier Ring correlation to the new metrics.py in utils
#606
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* Switch off MLOPR test * mpi4py seems to be problematic for 3.8 as well
* Adding Dockerfile * add argument for CUDA version and reformat
* Added benchmark script * Added cupy benchmark script
* Checking conda * Use conda-forge channel
* Refactor and simplify scripts * trying to fix broken command line tools * Update Dockerfile after changes in scripts * Marked ptypy.new script as disfunctional * Marked ptypy.csv2cp as disfunctional
* Drop Python <= 3.8 support * Add py 3.13 in CI tests * Use conda-incubator to set up conda env * Ensure correct activation throughout the tests * Migrate to importlib in script2rst * Migrate to importlib in resources * Migrate to packaging.version
* Include accelerate base tests by default * Change expected output in FFT filter tests to reflect support for single precision in Numpy > 2.0 * Adjust tolerance in pycuda fft filter tests
* Use probe_update_start to control the probe update in WASP * Add WASP tests with probe_update_start * Update WASP publication * Remove get_cmap as suggested in matplotlib/matplotlib#20853 * Handle colormap registration in different versions of matplotlib * Skip FFT filter tests if Numpy < 2.0 --------- Co-authored-by: Benedikt Daurer <benedikt.daurer@diamond.ac.uk>
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See #634 for continuation of this work. |
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This PR is a draft to foster the discussion about the inclusion of the
FRCinmetrics.pyThe list of things to discuss and improve is in the issue #605