OpenFreeEnergy / gufe

grand unified free energy by OpenFE
https://gufe.readthedocs.io
MIT License
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[WIP DNM] Per-Unit Execution #234

Open dwhswenson opened 1 year ago

dwhswenson commented 1 year ago

Opening as PR for better discussion with @dotsdl


Edit: This PR has been redirected so that it merges into #259. This allows you to only see the diffs specific to per-unit execution.

The original purpose of this PR (integrating with execute_DAG has been mainly moved into #258. As of #259, things should be enough in place that executors can update to use the new tools. The work left in this PR extends that to the draft the next generation of executors, where units can run in parallel on different machines.

pep8speaks commented 11 months ago

Hello @dwhswenson! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 10:1: E302 expected 2 blank lines, found 1

Line 14:1: E302 expected 2 blank lines, found 1 Line 32:1: E302 expected 2 blank lines, found 1 Line 38:1: E302 expected 2 blank lines, found 1 Line 72:1: E302 expected 2 blank lines, found 1

Comment last updated at 2023-12-01 19:47:40 UTC