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New conftest for dask #6

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New conftest for dask #6

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PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

Egor Marin added 30 commits June 9, 2023 14:46
Add scheduler to wbridge tests
9207721
Fix protocol with running _compute instead of run
ecc41c7
Add implementation of _setup_bslices with handling of frames parameter
c625d18
Fix implementation for frames parameter in _setup_bslices
604cbc9
Remove _scheduler attribute and make dask-based tests run properly
c58da9f
Refactor scheduler usage
1061a80
Add multiple workers in dask for testing
2d7a56c
Refactor _setup_bslices and add processes to dask scheduler kwargs
3d1cf80
Create frame_indices and trajectory for each bslice during _setup_bsl…
bb31a32 
…ices
Use explicit initialisation of timeseries wiith zeros
eb1feb1
Add non-trivial _parallel_conclude function
4e11bcf
Fix tests for new dask fixture
bc295c8
Add type-matching _parallel_conclude
75d1707
Add fixtures to test combinations of dask and multiprocessing
c5bd0b5
dask and multiprocessing works in test_atomicdistances.py
556c309
Fix bug in results is np.ndarray codepath
83630b4
Add _setup_scheduler raising NotImplemented error in align.py::Averag…
e41cba3 
…eStructure
dask and multiprocessing schedulers to test_align.py
1659323
dask scheduler for test_contacts.py and test for incompatibility with…
f9a8072 
… multiprocessing
dask and multiprocessing scheduler for test_density.py
f975ecf
Add _parallel_conclude implementation for dielectric
cf0253d
dask and multiprocessing schedulers for test_dielectric.py
8b0f4fb
dask and multiprocessing schedulers for test_diffusionmap.py
cc25c65
Add NotImplementedError for parallel schedulers in dihedrals.py
4aa005b
only current scheduler for test_dihedrals.py
4c1a73a
dask and multiprocessing tests for test_encore.py -- but some fail be…
b76d6ff 
…cause of RMSF module
Add NotImplementedError for _setup_scheduler in gnm.py
502fb84
Add NotImplementedError for _setup_scheduler in helix_analysis.py
49d1742
current process scheduler for test_helix_analysis.py
90a318d
dask and multiprocessing schedulers for test_hole2.py
3cc1dff
@yuxuanzhuang yuxuanzhuang mentioned this pull request May 3, 2024
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@yuxuanzhuang @marinegor @RMeli