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Task #2894

Task #2045: API design and language bindings

Wrap importable Python code.

Added by Eric Irrgang about 1 month ago. Updated 4 days ago.

Status:
Fix uploaded
Priority:
Normal
Assignee:
Category:
api
Target version:
Difficulty:
uncategorized
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Description

Provide basic tools for wrapping Python code to implement gmxapi compatible tools.

The wrappers provided in the operation module are used to build basic built-in gmxapi functionality as well as user extensions. Future updates to gmxapi data flow, checkpointing, control flow, and interoperability should be engineered to have minimal impact on code expressed with the provided tools.

Functional requirements:
  • FR1 requires a basic gmxapi.operation Python module
  • FR2 requires that Operations built with the wrappers in gmxapi.operation should behave with correct execution dependency.
  • FR3 requires that Operation output can be chained to the input of other Operations.

Criteria for completion:
Demonstrate with chains of commandline_operation.


Related issues

Blocked by GROMACS - Task #2893: Integrate gmxapi Python packageResolved
Blocks GROMACS - Task #2912: C++ extension module for Python bindingsIn Progress

Associated revisions

Revision 7123128e (diff)
Added by Eric Irrgang 14 days ago

Introduce gmxapi operations and basic data model.

Ref: #2894

Change-Id: I4e899e63287370fd2fdde89ddc1b2ea39c3fe67d

History

#1 Updated by Eric Irrgang about 1 month ago

  • Parent task deleted (#2893)

#2 Updated by Eric Irrgang about 1 month ago

  • Blocked by Task #2893: Integrate gmxapi Python package added

#3 Updated by Eric Irrgang about 1 month ago

  • Blocks Task #2895: gmxapi Output proxy establishes execution dependency. added

#4 Updated by Gerrit Code Review Bot about 1 month ago

Gerrit received a related patchset '10' for Issue #2894.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~I1b56858e8e50c1a06273f43dc69c9b812158d82
Gerrit URL: https://gerrit.gromacs.org/9204

#5 Updated by Eric Irrgang 24 days ago

  • Description updated (diff)

#6 Updated by Gerrit Code Review Bot 24 days ago

Gerrit received a related DRAFT patchset '1' for Issue #2894.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~I4e899e63287370fd2fdde89ddc1b2ea39c3fe67d
Gerrit URL: https://gerrit.gromacs.org/9369

#7 Updated by Gerrit Code Review Bot 24 days ago

Gerrit received a related DRAFT patchset '1' for Issue #2894.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~I9f6c113f21d3a1ce97184a1e48b8bd4856c5c924
Gerrit URL: https://gerrit.gromacs.org/9370

#8 Updated by Gerrit Code Review Bot 24 days ago

Gerrit received a related DRAFT patchset '1' for Issue #2894.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~I26b1413c83e3ad176f2fd70f93e8b8e1033667ae
Gerrit URL: https://gerrit.gromacs.org/9371

#9 Updated by Eric Irrgang 19 days ago

  • Blocks Task #2912: C++ extension module for Python bindings added

#10 Updated by Mark Abraham 14 days ago

  • Description updated (diff)

#11 Updated by Eric Irrgang 14 days ago

  • Description updated (diff)

#12 Updated by Eric Irrgang 14 days ago

  • Description updated (diff)

#13 Updated by Eric Irrgang 14 days ago

  • Blocks deleted (Task #2895: gmxapi Output proxy establishes execution dependency.)

#14 Updated by Eric Irrgang 4 days ago

  • Status changed from New to Fix uploaded

#15 Updated by Eric Irrgang 4 days ago

  • Parent task set to #2045

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