globus-labs / mof-generation-at-scale / 8284471488

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Stream generated ligands back to Thinker (#54)

* Update to streaming-ready version of Colmena

* Switch generate function to be generator

* Update parallel app to use streaming

* Unrelated, but important: as_complete for LAMMPS

Ensure we get results, even if a task fails

* Change LAMMPS executable to "lmp"

That's what it is called on conda-forge's package now

* Add redis to the build enviornment, run script

* Use the Anaconda version of redis

The conda-forge one fails for reasons beyond my understanding.

* Bug fix: Use the wrapped function in task server

* Use the github branch of Colmena for now

* Store return value, if though it is ``None``

See exalearn/colmena#132

* Reduce the node count used for text

Also add echos so we know where the execution is

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