[root@compute-0-59 chimerax]# cat chimerax.build
Bootstrap: docker
From: ubuntu:22.04


%help
Ubuntu 22.04 containter with ChimeraX

  Usage
  =====
  View help:
  $ singularity help /powerapps/singularity/images/chimara/ChimeraX.img
  Run the container:
  $ singularity run /powerapps/singularity/images/chimara/ChimeraX.img [args]
  Run R from the container:
  $ singularity run --app chimerax  /powerapps/singularity/images/chimara/ChimeraX.img [args]
  Run Rscript from the container:
  $ singularity run --app chimerax --bind <mount point path> /powerapps/singularity/images/chimara/ChimeraX.img [args]

%labels
    Maintainer "Chimera Staff <chimera-staff@cgl.ucsf.edu>"
    org.label-schema.schema-version "1.0"
    org.label-scheme.description "This image has the right compiler environment to build and run ChimeraX"

%environment
  LC_ALL=en_US.UTF-8
  LANG=en_US.UTF-8

%setup
#    mkdir /sing

%files
    /powerapps/singularity/sing_files/chimerax ${SINGULARITY_ROOTFS}

%post
    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 \
        chrpath patch openssh-client rsync ca-certificates \
        make autoconf automake libtool pkg-config \
        flex bison yasm unzip tar fakeroot curl wget \
        python3 python-is-python3 \
        python3-pip \
        libnss3 \
        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 \
        git \
        zlib1g-dev


%apprun chimerax
  exec /usr/ChimeraX.app/bin/ChimeraX "${@}"

%runscript
  exec "${@}"