Features/gromacs#835

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rfhaque wants to merge 15 commits intodevelopfrom

features/gromacs

Commits on Jun 11, 2025

gromacs changes
Riyaz Haque
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gromacs rocm hipsycl config
Riyaz Haque
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gromacs package.py
Riyaz Haque
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hip build changes
Riyaz Haque
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Set GPU-aware MPI environment variables
Riyaz Haque
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Commits on Jun 12, 2025

lassen cuda build
Riyaz Haque
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Matrix build
Riyaz Haque
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Commits on Jun 13, 2025

Merge remote-tracking branch 'origin/develop' into features/gromacs
Riyaz Haque
committed

Commits on Jun 16, 2025

lint
Riyaz Haque
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Update hipsycl package.py and gromacs gpu aware mpi logic
Riyaz Haque
committed

Commits on Jun 17, 2025

Add single node mpi command variable to run grompp
Riyaz Haque
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Fix job scheduler invocation for single rank runs
Riyaz Haque
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Add cmake v3.31 as an external package on dane and matrix
Riyaz Haque
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Merge remote-tracking branch 'origin/develop' into features/gromacs
Riyaz Haque
committed

Commits on Jun 18, 2025

Change variant name to direct-gpu-comm
Riyaz Haque
committed