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ComputeCanada / easybuild-easyblocks Public

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Update GROMACS easyblock#28

Merged

ostueker merged 10 commits into2023ComputeCanada/easybuild-easyblocks:2023from

CC_gromacs_2025ComputeCanada/easybuild-easyblocks:CC_gromacs_2025Copy head branch name to clipboard

Dec 18, 2025

Conversation Commits10 (10)Checks Files changed

Merged

Update GROMACS easyblock#28
ostueker merged 10 commits into2023from
CC_gromacs_2025

Commits

Commits on Dec 18, 2025

GROMACS: new build-option 'mpi_only'
ostueker
committed
support 'X86-64-V?' style Microarchitecture levels in optarch
ostueker
committed
EB_GROMACS: fix linter
ostueker
committed
EB_GROMACS: more control over building gmxapi Python package
ostueker
committed
EB_GROMACS: finer control over PLUMED support (internal or patching)
ostueker
committed
GROMACS: improve PLUMED patching logic
ostueker
committed
remove print statements added for debugging
ostueker
committed
GROMACS: add option plumed = 'native'
ostueker
committed
use native PLUMED by default with GROMACS 2026+
ostueker
committed
GROMACS: fix native PLUMED support instead of patching
ostueker
committed

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