[gmx-developers] Request for review

[Eric Irrgang]

Hi Devs,

Per the dev telco yesterday, I wanted to call attention to two changes that
look big and scary, but which I hope are easy. The GROMACS team has been
requesting that the GitHub projects for the gmxapi Python package and the
sample MD plugin module be consolidated into the single Gerrit repository
for testing, maintenance, and future development.

https://gerrit.gromacs.org/c/gromacs/+/11483 captures the final tagged
release of the sample project that researchers can use as a starting point
for developing plugins, or simply to see the published functionality
demonstrated. Since the Gerrit repository does not use `git subtree` or git
submodules, I think it is appropriate to transfer the canonical upstream
for this subtree in a single commit that matches the tagged release from
the external project. If you agree, I hope it will be easy to satisfy
yourself that the change does this in an appropriate way and can be merged.
If not, please let me know.

https://gerrit.gromacs.org/c/gromacs/+/10940 copies a minimal subset of C++
code from the external Python package for launching mdrun. Minimal changes
were necessary to satisfy uncrustify and to build in the new environment.
To simplify review, the code has almost no exposure in this commit and
matches the noted GitHub release, so there should be no risk.

With the 0.0.7.3 code transplanted to the GROMACS repository, it will be
much easier to stage changes that establish compatibility and functionality
for GROMACS 2020 and that clarify the other gmxapi contributions.

If you think it will be helpful or time-saving, please feel welcome to
contact me directly.

Thanks!
Eric
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