qp-demo/Dockerfile

# For help about how Dockerfiles work, see https://docs.docker.com/engine/reference/builder
ARG UBUNTU_VERSION=24.04
FROM ubuntu:${UBUNTU_VERSION}

# Build argument (can be changed at build time)
# This argument defines the timezone for tzdata required by qp_run
ARG tz=Etc/UTC
ARG user=user

# Install all required packages for building and running
RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
    git \
    curl wget python3 gfortran gcc g++ build-essential unzip liblapack-dev pkg-config autoconf zlib1g zlib1g-dev libgmp-dev libzmq3-dev bzip2 ninja-build libhdf5-dev hdf5-tools file \
    htop vim emacs-nox screen tmux less tzdata man manpages-posix lsb-release \
    && rm -rf /var/lib/apt/lists/*

# Reconfigure tzdata with the correct timezone
RUN echo $tz > /etc/timezone && rm -rf /etc/localtime && ln -snf /usr/share/zoneinfo/$tz /etc/localtime && dpkg-reconfigure -f noninteractive tzdata

# Add user and switch to this user
ARG user=user
RUN adduser --disabled-password --gecos '' $user
USER $user

# I don't know why but the USER environment variable is not set so I set it because it's required for ninja
ENV USER=$user

# Go to home
WORKDIR /home/$user

# Download quantum package
RUN git clone --depth 1 --branch v2.2.2 https://github.com/QuantumPackage/qp2

# Go to quantum package
WORKDIR /home/$user/qp2

# Configure
RUN ./configure -i trexio ; ./configure -i f77zmq ; \
    ./configure -i ocaml ; ./configure -i docopt ; \
    ./configure -i resultsFile
RUN ./configure -c config/gfortran_avx.cfg

# Compile the code
RUN ["/bin/bash", "-c", "source quantum_package.rc ; ninja"]

WORKDIR /home/$user

# Copy examples
COPY --chown=$user examples examples

# Prepare tmux and screen to use QPSH
RUN echo "set -g default-command /home/$user/qp2/bin/qpsh" >> /home/$user/.tmux.conf
RUN echo "shell \"/home/$user/qp2/bin/qpsh\"" >> /home/$user/.screenrc

# Start a qp shell when run
CMD ["./qp2/bin/qpsh"]