Task #2045: API design and language bindings
Feature #2896: Python packaging
Task #3027: Move sample_restraint development from GitHub to Gerrit
Cookiecutter for sample_restraint
Since the gmxapi sample_restraint code is now a subproject of the GROMACS project, it is no longer trivial to fork a new MD plugin project.
A reasonable solution could be a skeletal Cookiecutter repository that draws the sample_restraint subtree from the GROMACS repository. We could also separate some of the CMake logic, in that case, to better handle bundling of pytest, googletest, and testing infrastructure set-up.
- Related to Task #2756: gmxapi integration testing added
- Related to Feature #2961: How should Python package find GROMACS resources under various circumstances? added
- Related to Task #3132: gmxapi testing support tools added
- Related to Bug #3111: sample_restraint testing should not download files added
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