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.
#6 Updated by Eric Irrgang 10 months ago
- Parent task changed from #3027 to #2896
I am refining a CookieCutter for restraint plugins. I will set up initial testing with Travis-CI, but we should consider if/how to integrate more tightly with GROMACS infrastructure. Maybe it could live in a separate repository on GitLab and be integrated with the same GitLab Runner facilities.