Colvars / colvars

Collective variables library for molecular simulation and analysis programs
http://colvars.github.io/
GNU Lesser General Public License v3.0
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Support patch number for code version #671

Closed giacomofiorin closed 2 months ago

giacomofiorin commented 3 months ago

PR #670 is an example of a small fix that should go in a future patch release of GROMACS.

We haven't had this need with LAMMPS yet, mostly because the Colvars interface currently packaged with it predates the time when LAMMPS started issuing release updates. However, we may encounter it there as well.

There should be a patch version counter, which is always zero in the master branch of Colvars, but gets incremented when bugfixes are backported into a Colvars version that is packaged with a specific engine.

(Not adding a milestone here for simplicity, but this should ideally be taken care of in early April, in time for GROMACS 2024.2).