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MDAnalysis.analysis.hole2: Implement parallelization or mark as unparallelizable #60

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marinegor opened this issue Aug 20, 2024 · 1 comment
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@marinegor
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Given a newly implemented parallelization (https://docs.mdanalysis.org/dev/documentation_pages/analysis/parallelization.html), implement it for all classes in analysis.hole2 module. You may use analysis.RMSD in develop as a reference.

You need to add:

  • appropriate implementation of result aggregation for AnalysisBase subclasses in analysis.hole2 module (or explicitly limit available backends if the classes aren't parallelizable)
  • a boilerplate fixture(s) to testsuite/analysis/conftest.py, analogous with existing ones
  • a client_... fixtures to all tests using in testsuite/MDAnalysisTests/analysis/test_hole2.py, and modify the way run() method is called
@RMeli RMeli added the help wanted Extra attention is needed label Aug 21, 2024
@IAlibay
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IAlibay commented Aug 21, 2024

Transferring - hole2 development is not done within the core library anymore.

@IAlibay IAlibay transferred this issue from MDAnalysis/mdanalysis Aug 21, 2024
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