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Feature #2985

Task #2045: API design and language bindings

Task #2698: gmxapi documentation integration

Python package documentation

Added by Eric Irrgang 2 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
documentation
Target version:
Difficulty:
uncategorized
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Description

Some infrastructure and organizational details need to be worked out to build and publish documentation related to the gmxapi Python package.

For gmxapi <= 0.0.7, the Python package is in a separate repository on GitHub that is automatically downloaded and built by readthedocs. This is a little more complicated to do with the Python package in a subdirectory of the primary GROMACS repository, but we also probably want to integrate the Python package documentation with the rest of the GROMACS documentation.

The Python gmxapi package needs to be built and importable in order for Sphinx to automatically extract docstrings from the C++ bindings module.

This Redmine Issue is currently a stub to catch details of infrastructure, layout, contents, integration, publishing, and automation.


Subtasks

Task #3014: gmxapi example Python scriptsNew

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