Run ChimeraX headless CLI in a Docker container

Dockerfile

FROM ubuntu:24.04 AS builder

# Copied from https://github.com/RBVI/ChimeraX/blob/2148f30d4af45ddcd2b24eef6a794ccf081d4dec/prereqs/linux_buildenv/ubuntu-24.04.def#L12-L80
# Also added `git`, which seems to be required
RUN export PATH=/usr/bin:/usr/sbin:/bin:/sbin && \
    export SHELL=/bin/bash && \
    export LANG=en_US.UTF-8 && \
    export DEBIAN_FRONTEND=noninteractive && \
    apt-get -y update && \
    apt-get install -y --no-install-recommends \
    language-selector-common ffmpeg vim-nox \
    build-essential g++ gfortran gfortran-9 \
    tcsh cmake bc \
    patchelf patch openssh-client rsync ca-certificates \
    make autoconf automake libtool pkg-config \
    flex bison yasm unzip tar fakeroot curl wget \
    python3 python-is-python3 \
    imagemagick \
    libasound2-dev \
    libatk1.0-dev \
    libbz2-dev \
    libcairo2-dev \
    libcups2-dev \
    libdbus-1-dev \
    libegl1-mesa-dev \
    libexpat1-dev \
    libffi-dev \
    libfftw3-dev \
    libfreetype6-dev \
    libgdk-pixbuf2.0-dev \
    libgl1-mesa-dev \
    libglu1-mesa-dev \
    libgstreamer1.0-dev \
    libgstreamer-plugins-base1.0-dev \
    libgtk-3-dev \
    libhdf5-dev \
    libicu-dev \
    libjpeg-dev \
    liblzma-dev \
    libmysqlclient-dev \
    libnss3-dev \
    libosmesa6-dev \
    libpango1.0-dev \
    libpcre3-dev \
    libpng-dev \
    libpulse-dev \
    libsqlite3-dev \
    libssl-dev \
    libtiff-dev \
    libx11-dev \
    libxcomposite-dev \
    libxcursor-dev \
    libxext-dev \
    libxft-dev \
    libxi-dev \
    libxmu-dev \
    libxpm-dev \
    libxrandr-dev \
    libxslt1-dev \
    libxss-dev \
    libxt-dev \
    libxtst-dev \
    llvm-dev \
    libz-dev \
    x11proto-scrnsaver-dev \
    xdg-utils \
    zlib1g-dev \
    git && \
    apt-get install -y --no-install-recommends `check-language-support -l en_US`  && \
    apt-get clean  && \
    rm -rf /var/lib/apt/lists/*

WORKDIR /ChimeraX

COPY . .

RUN make install

FROM ubuntu:24.04

RUN groupadd --system --gid 101 nonroot \
    && useradd --system --gid 101 --uid 101 --create-home nonroot

RUN export DEBIAN_FRONTEND=noninteractive && \
    apt-get -y update && \
    apt-get install -y \
        libglu1 \
        libgl1 \
        libegl1 \
        libglib2.0-dev \
        libxkbcommon-x11-0 \
        libdbus-1-3

COPY --from=builder --chown=nonroot:nonroot /ChimeraX/ChimeraX.app /ChimeraX/ChimeraX.app

USER nonroot

ENTRYPOINT [ "/ChimeraX/ChimeraX.app/bin/ChimeraX" ]