Update alignment.py and running_jobs_complexes.ipynb #1
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np.str is depricated for numpy 1.2 replaced by np.str_
m1ch4el0
changed the title
changing everything to v3
changing deprecated repo to maintained one https://github.com/coactions/setup-xvfb
Updated deprecated yaml function
yaml.safe_load() ->
yaml = YAML(typ='safe', pure=True)
self.incfg = yaml.load(inf)
Changing yaml package to pyyaml
Only use one test case (Complex)
added pyyaml to dependencies
removed old yaml reader
Chancing back to updated ruamel.yaml
Changing back to ruamel.yaml
Removed deprecated parameter in pandas asser_frames_equal and updated deprecated yaml loader
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In evcouplings/align/alignment.py: data type 'np.str' is deprecated in NumPy=1.20. It can be replaced by NumPy scalar type 'np.str_' or simply 'str'. See NumPy 1.20.0 Release Notes. Here NumPy scalar was chosen.
Additionally fixed typos in the documentary (notebooks/running_jobs_complexes.ipynb)