Add OpenMM to the Dockerfile #1115
Labels
CI / repository
Continuous integration or repository organization
enhancement
Enhancing an existing feature of adding a new one
Desired feature/enhancement
Add OpenMM installation to the dockerfile
Motivation
Currently we provide haddock3 as package https://github.com/haddocking/haddock3/pkgs/container/haddock3 but with a very minimal setup;
haddock3/Dockerfile
Lines 2 to 7 in ccb3aea
Ideally this package should contain the "full" suite, including extra dependencies such as OpenMM.
Description
We can use https://github.com/i-VRESSE/haddock3-webapp/blob/main/deploy/Dockerfile.bartenderhaddock3 as a reference point
Additional context
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