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GitLab 15.0 is launching on May 22! This version brings many exciting improvements, but also removes deprecated features and introduces breaking changes that may impact your workflow. To see what is being deprecated and removed, please visit Breaking changes in 15.0 and Deprecations.

  • GROMACS
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  • #3133
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Created Oct 13, 2019 by Paul Bauer@acmnpvOwner

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.

Edited Nov 16, 2021 by M. Eric Irrgang
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