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Support HIP #951

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mikemhenry
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Will use this PR to track what we need to support HIP. Related PRs and Issues:
#826
choderalab/openmmtools#753

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  • Added a news entry

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@mikemhenry
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Will keep adding to this PR as needed, will also expand the news entry when the dust settles

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codecov bot commented Oct 8, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.84%. Comparing base (29d8cd9) to head (e806bc3).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #951      +/-   ##
==========================================
- Coverage   94.59%   92.84%   -1.76%     
==========================================
  Files         134      134              
  Lines        9935     9935              
==========================================
- Hits         9398     9224     -174     
- Misses        537      711     +174     
Flag Coverage Δ
fast-tests 92.84% <100.00%> (?)
slow-tests ?

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@IAlibay
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IAlibay commented Oct 9, 2024

@mikemhenry do you want to add the allowable platforms list as a validator to the OpenmmEngineSettings class? I feel like we should document what we support somewhere, and it's probably as good a place to go "well you can do this but know that OpenCL and HIP aren't thoroughly validated.

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2 participants