Created
July 28, 2022 19:49
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Setup PySAGES for OpenMM and HOOMD-blue
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| cd | |
| rsync -a --exclude=*/__pycache__ /data/scratch/pysages . &> /dev/null | |
| find pysages -type f \( -name "*.py" -name "*.sh" \) -exec sed -i "s|/data/scratch|$HOME|g" {} + | |
| . pysages/modules.sh | |
| python -m pip -q install ParmEd | |
| python -m pip -q install netCDF4 |
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