Haddock3 container workflow & usage #1318
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This PR adds a top-level
usage-container/
directory from the Comp-era/HADDOCK3-Container repo,containing:
README.md
(detailed container usage guide)docs/usage.md
(run instructions)recipe/
(example build definition)scripts/
(Slurm run scripts)CONTRIBUTING.md
andLICENSE
It also updates the root
README.md
to link to this guide.