1 # Update an ubuntu image with dependencies needed to build GROMACS and dependent packages.
2 # This version of the Dockerfile installs mpich.
4 # docker build -t gmxapi/gromacs-dependencies-mpich -f gromacs-dependencies.dockerfile .
6 # This image serves as a base for integration with the gmxapi Python tools and sample code.
8 FROM ubuntu:groovy as base
11 RUN apt-get update && \
12 apt-get -yq --no-install-suggests --no-install-recommends install software-properties-common build-essential && \
13 apt-get -yq --no-install-suggests --no-install-recommends install \
24 rm -rf /var/lib/apt/lists/*
26 # mpich installation layer
27 RUN apt-get update && \
28 apt-get -yq --no-install-suggests --no-install-recommends install \
31 rm -rf /var/lib/apt/lists/*