Add Dockerfile to create a docker image with simulaqron software

Author: dieriver

Dockerfile

@@ -1,57 +1,89 @@
-## Dockerfile
-# This container provides a complete run-time environment for SimulaQron.
-#
-## Build:
-# From inside the top-level SimulaQron directory run
-#
-#     docker build -t <image_name> .
-#
-# where you should replace <image_name> with the name you want to give to the
-# docker image.
-#
-## Run:
-# To start the container and enter the shell prompt inside, run
-#
-#     docker run -it <image_name>
-#
-# This will start a docker container with SimulaQron inside the
-# /workspace/SimulaQron directory (this default can be changed, by changing the
-# WORKSPACE variable in this file). Note that this is only a COPY of the
-# SimulaQron directory that was made during the build step so if you make any
-# changes on the host system, they will not be reflected in the container until
-# you rebuild the image.
-#
-# However, if you wish, you can mount the host's SimulaQron directory into the
-# container rather than using a copy made during the build step, you need to
-# explicitly mount it when starting the container, e.g.
-#
-#     docker run -it -v /path/to/SimulaQron:/workspace/SimulaQron <image_name>
-#
-# This will mount /path/to/SimulaQron inside the container in
-# /workspace/SimulaQron. Note that on Linux systems with SELinux present, the
-# mount option has to be `-v /path/to/SimulaQron:/workspace/SimulaQron:z`.
-#
-## Multiple shells:
-# To attach to a running container with a new shell run
-#
-#     docker exec -it <container_name> bash
-#
-# where <container_name> is the name of the running container (this is in
-# general not the same as the image name). To find what name your container
-# has, run `docker ps`.
-
-FROM ubuntu:18.04
-LABEL author="Wojciech Kozlowski <w.kozlowski@tudelft.nl>"
-
-# Update docker image
-ENV DEBIAN_FRONTEND=noninteractive
-RUN apt-get update && apt-get upgrade -y
-
-# Install Python 3
-RUN apt-get install -y python3 python3-pip python3-tk
-
-# Set a UTF-8 locale - this is needed for some python packages to play nice
-RUN apt-get -y install language-pack-en
-ENV LANG="en_US.UTF-8"
-
-RUN pip3 install simulaqron
+# If you need a slim version, use "alpine" base instead of trixie (Debian)
+#FROM python:3.12-alpine AS base-image
+FROM ubuntu:24.04 AS base-image
+
+# Install packages
+
+#RUN apk add --no-cache bash vim nano libstdc++ libgomp
+RUN apt-get update
+RUN apt-get dist-upgrade -y
+RUN apt-get install -y bash vim nano libgomp1 adduser git openssl make software-properties-common
+
+RUN add-apt-repository ppa:deadsnakes/ppa
+RUN apt-get update
+
+# Install Python 3.12
+RUN apt-get install -y python3.12-full python3.12-dev
+
+# Switch to Bash
+SHELL ["/bin/bash", "-c"]
+
+# Delete the build-in user - not needed in alpine images
+RUN userdel -r ubuntu
+
+# Create student user
+ARG GNAME=student
+ARG GID=1000
+ARG UNAME=student
+ARG UID=1000
+ARG UHOME=/home/student
+ENV HOME=${UHOME}
+RUN set -o errexit -o nounset
+RUN addgroup --gid ${GID} "${GNAME}"
+RUN adduser --home "${UHOME}" --disabled-password --uid ${UID} --ingroup "${GNAME}" "${UNAME}"
+WORKDIR ${UHOME}
+
+# Remove unnecessary sotware
+RUN apt-get purge -y adduser software-properties-common
+RUN apt-get autoremove -y
+
+FROM base-image AS venv-image
+
+
+# Install build essentials, to correctly build python deps
+# We install it only for this stage, so we create a lighter docker image for executing
+#RUN apk add --no-cache alpine-sdk
+RUN apt-get update
+RUN apt-get install -y build-essential cmake linux-headers-generic
+
+# Create python virtual environment
+WORKDIR ${UHOME}
+RUN python3.12 -m venv simulaqron-venv
+# We have to "manually" activate the virtual environment
+ENV PATH="${UHOME}/simulaqron-venv/bin:$PATH"
+
+# Install SimulaQron
+# Option 1: Install from the wheel file
+# Copy the simulaqron wheel into the container
+COPY dist/*.whl ${UHOME}
+RUN pip install *.whl
+RUN rm *.whl
+
+# Install extra packages that need build-essential
+RUN pip install "qutip<5.0.0"
+RUN pip install "setuptools<81" pybind11
+RUN pip install "git+https://github.com/ProjectQ-Framework/ProjectQ.git@v0.8.0" --no-build-isolation
+
+# Option 2: (Recommended for release) Install from PyPI
+#RUN pip install "simulaqron[opt]>=4.0.1"
+
+FROM base-image AS run-image
+
+# Copy installed python packages from previous image
+COPY --from=venv-image --chown=${UNAME} ${UHOME}/simulaqron-venv "${UHOME}/.local"
+# Since these files come from a python virtual environment
+# we need to fix some absolute paths
+WORKDIR ${UHOME}/.local/bin
+RUN sed -i "s|${UHOME}/simulaqron-venv/|${UHOME}/.local/|g" *
+# Activate the "virtual environment" we just copied
+ENV PATH="${UHOME}/.local/bin:${UHOME}/.local:$PATH"
+
+# Configure libgomp to use a single thread to avoid deadlocks in simulaqron
+ENV OMP_NUM_THREADS=1
+
+# Switch to user student
+USER student
+WORKDIR ${UHOME}
+RUN echo 'export PS1="\[\e]0;\u@\h: \w\a\]${debian_chroot:+($debian_chroot)}\[\033[01;32m\]\u@\h\[\033[00m\]:\[\033[01;34m\]\w\[\033[00m\]\$ "' >> ~/.bashrc
+
+CMD bash