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[GROMACS] Support PLUMED for versions 2025 and newer#4070

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gkaf89 wants to merge 5 commits intoeasybuilders:developfrom
gkaf89:gromacs-plumed
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[GROMACS] Support PLUMED for versions 2025 and newer#4070
gkaf89 wants to merge 5 commits intoeasybuilders:developfrom
gkaf89:gromacs-plumed

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@gkaf89
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@gkaf89 gkaf89 commented Feb 18, 2026

This modification allows building versions of GROMACS newer than 2025.0 with support for PLUMED.

Any version of PLUMED is supported. From the official documentation:

GROMACS bundles the interface from version 2.10 of the PLUMED library in its source distribution. The interface is compatible with any PLUMED version.

So in theory there is no need to check compatibility between versions of GROMACS and PLUMED in this new mechanism.

@gkaf89 gkaf89 marked this pull request as draft February 18, 2026 17:28
@gkaf89 gkaf89 force-pushed the gromacs-plumed branch 2 times, most recently from 15a9f5c to dec0f75 Compare February 19, 2026 09:35
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ostueker commented Apr 8, 2026

I just stumbled across this PR.
Last fall I submitted #3984 to tackle GROMACS native PLUMED interface.

As far as I can tell, the native Plumed interface is not a full replacement for applying the patches authored by the Plumed team -- at least not yet.

Therefore being able to control whether GROMACS should use the native interface or patches should be applied is more versatile.

@boegel boegel added the update label Apr 8, 2026
@boegel boegel added this to the release after 5.3.0 milestone Apr 8, 2026
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