Gromacs, Molecular Dynamics, Life Sciences, Google Cloud Platform, Bioinformatics.
2021.3 を指定しています。 FROM ubuntu:18.04 # Copy the contents of the current directory into the container. ADD . . # Install Gromacs and its dependencies. RUN apt -y update \ && apt install -y wget g++ libxml2-dev openmpi-bin openmpi-doc libopenmpi-dev \ && wget