WIP:gromacs recipe draft with spack 1.x#256

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kanduri wants to merge 15 commits into

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Commits on Oct 13, 2025

Commits on Oct 15, 2025

resolve concretization error
Prashanth Kanduri
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Commits on Oct 20, 2025

without plumed
Prashanth Kanduri
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Commits on Oct 22, 2025

update gromacs recipe from older release
Prashanth Kanduri
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add plumed with groamcs 2022.5
Prashanth Kanduri
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remove old file
Prashanth Kanduri
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modified PLUMED recipe with gromacs 2025.0
Prashanth Kanduri
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Commits on Nov 18, 2025

gromacs with pytorch and plumed
Prashanth Kanduri
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remove unused files
Prashanth Kanduri
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change uenv name with pytorch
Prashanth Kanduri
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