cp2k_shell.ssmp
Ab Initio Molecular Dynamics
RUN apt-get update && \
apt-get install -y cp2k
RUN apt-get update && \
apt-get install -y cp2k
RUN apt-get update && \
apt-get install -y cp2k
RUN dnf install -y cp2k
RUN apt-get update && \
apt-get install -y cp2k