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germann_e e3ab57d525 Merge branch 'update_readme' into 'master'

FIX: spack develop modules.yaml problem + install new gromacs with openmpi

See merge request germann_e/spack-psi!12

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FIX: spack develop modules.yaml problem + install new gromacs with openmpi

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Spack Prototype for PSI

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Spack Prototype for PSI

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Spack Prototype for PSI

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FIX: update README.md

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Spack Prototype for PSI

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README.md

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The PSI Spack Deployment

Official Spack documentation

How to use on Merlin6

source /afs/psi.ch/sys/spack-rhel7/spack/share/spack/setup-env.sh # can be also include in your .bashrc

spack env list
spack env activate -d <package> # e.g ffbidx all for whole software stack

# Install env if local development, else skip
spack install # -v for verbose

spack load <package>