Dockerfile

FROM --platform=$BUILDPLATFORM mambaorg/micromamba

USER root
RUN apt-get update &&\
    apt-get install --no-install-recommends -y \
      gfortran \
      make \
      nano

USER mambauser
WORKDIR /home/mambauser

# Copy and install the ISOFIT environment
COPY --chown=mambauser:mambauser . ISOFIT/
RUN micromamba config prepend channels conda-forge &&\
    micromamba update  --all --yes &&\
    micromamba install --name base jupyterlab &&\
    micromamba create  --name isofit python=3.10 &&\
    micromamba install --name isofit --file ISOFIT/recipe/isofit.yml \
                                     --file ISOFIT/recipe/docker.yml &&\
    echo "micromamba activate isofit" >> ~/.bashrc

ENV PATH=/opt/conda/envs/isofit/bin:$PATH

# Install ISOFIT and extra files
RUN python -m ipykernel install --user --name isofit &&\
    pip install -e ISOFIT &&\
    isofit -b . download all &&\
    isofit build

# Jupyter needs this to access the terminal
ENV SHELL="/bin/bash"

# Ray Dashboard port
EXPOSE 8265

# Start the Jupyterlab server
EXPOSE 8888

CMD ["jupyter-lab", "--ip", "0.0.0.0", "--no-browser", "--allow-root", "--ServerApp.token=''", "--ServerApp.password=''", "examples/isotuts/NEON/neon.ipynb"]