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Merge branch 'main' of github.com:globus-labs/cascade
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@WardLT
WardLT committed Apr 9, 2024
2 parents 3dd57a0 + c4a52ea commit 56459c3
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Expand Up @@ -15,6 +15,7 @@ dependencies:

# Computational chemistry
- packmol
- cp2k # comment if using gpu cp2k

# Pip packages for all of them
- pip:
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