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The mpi.py module from @andrrizziin YANK is so amazingly useful, I think we should move it to a more generalized location. After speaking to @andrrizzi, the module could even be reduced to ONLY depending on built-in Python packages and only optionally on mpi4py if present.
I actually think this module is so helpful that it should be made as a possible full standalone and published to the much broader community such as on conda-forge (would need a name change).
As a stopgap, I think moving it here would improve clusterutils as package in of itself, since right now its effectively just a "MPI script builder under certain conditions"
Thoughts?
The text was updated successfully, but these errors were encountered:
For now the main discussion should happen on the YANK issue since that is where the module currently rests. I'll strike/remove this comment if we decide to migrate it the module here.
The
mpi.py
module from @andrrizzi in YANK is so amazingly useful, I think we should move it to a more generalized location. After speaking to @andrrizzi, the module could even be reduced to ONLY depending on built-in Python packages and only optionally onmpi4py
if present.I actually think this module is so helpful that it should be made as a possible full standalone and published to the much broader community such as on
conda-forge
(would need a name change).As a stopgap, I think moving it here would improve
clusterutils
as package in of itself, since right now its effectively just a "MPI script builder under certain conditions"Thoughts?
The text was updated successfully, but these errors were encountered: