Comments (2)
Not sure I entirely follow; if you're on track and happy, go for it. Otherwise perhaps walk me through it when we chat?
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This goes deep into the Context-implementation API, with implications for what plugin development looks like and how well we support various aspects of the execution environment abstraction and API extensibility. Technical design issues include:
- to what degree do we want to tag or type operations and edges to help the puzzle pieces fit together?
- How should a gmxapi WorkElement best be generated for a plugin module?
This is probably a long-term issue targeted for much closer to 1.0, but it may generate or tie together task issues while collecting design conversation. I'll try to represent the ideas and issues more clearly with time.
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Related Issues (20)
- Inconsistent type for WorkElement.namespace and WorkElement.operation
- docker images for 0.0.7 HOT 2
- Avoid race conditions from unsynchronized ensembles HOT 3
- Invalid attempt to use Context.rank in Context.work setter.
- Logic error when checking for operation implementations
- Specifications for referencing external data sources in serialized work
- Enable readthedocs build for 0.1.0.1
- Enable readthedocs build for >= 0.2a
- Provide long description for gmxapi package
- reposority reorganization makes gmxapi 0.0.7 install docs confusing
- commandline_operation should be able to read from STDIN HOT 10
- Validity checks for WorkSpec updates are not applied consistently.
- Accesing commandline output. HOT 5
- TypeError when importing gmxapi 0.0.8 HOT 9
- How to implement trjcat? HOT 3
- Neural Net potential and py interface HOT 1
- Using interactive gmx commands such as trjconv within gmxapi HOT 1
- How to replace coordinates in the simulation input HOT 1
- How to control the operation of MD by output conformation HOT 1
- `gmxapi.commandline_operation` seems to have memory leaks HOT 3
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