singularity_build.def

# calin/singularity_build.def -- Stephen Fegan -- 2021-08-23
#
# Build a singularity container for calin using Github Actions
#
# Copyright 2021, Stephen Fegan <sfegan@llr.in2p3.fr>
# Laboratoire Leprince-Ringuet, CNRS/IN2P3, Ecole Polytechnique, Institut Polytechnique de Paris
#
# This file is part of "calin"
#
# "calin" is free software: you can redistribute it and/or modify it under the
# terms of the GNU General Public License version 2 or later, as published by
# the Free Software Foundation.
#
# "calin" is distributed in the hope that it will be useful, but WITHOUT ANY
# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
# A PARTICULAR PURPOSE.  See the GNU General Public License for more details.

Bootstrap: docker
From: ubuntu:22.04

%files
    /tmp/calin_installed.tgz

%environment
    export GEANT4_DATA_DIR="/usr/share/Geant4/data"
    export G4NEUTRONHPDATA="$GEANT4_DATA_DIR/G4NDL4.7.1"
    export G4LEDATA="$GEANT4_DATA_DIR/G4EMLOW8.5"
    export G4LEVELGAMMADATA="$GEANT4_DATA_DIR/PhotonEvaporation5.7"
    export G4RADIOACTIVEDATA="$GEANT4_DATA_DIR/RadioactiveDecay5.6"
    export G4PARTICLEXSDATA="$GEANT4_DATA_DIR/G4PARTICLEXS4.0"
    export G4PIIDATA="$GEANT4_DATA_DIR/G4PII1.3"
    export G4REALSURFACEDATA="$GEANT4_DATA_DIR/RealSurface2.2"
    export G4SAIDXSDATA="$GEANT4_DATA_DIR/G4SAIDDATA2.0"
    export G4ABLADATA="$GEANT4_DATA_DIR/G4ABLA3.3"
    export G4INCLDATA="$GEANT4_DATA_DIR/G4INCL1.2"
    export G4ENSDFSTATEDATA="$GEANT4_DATA_DIR/G4ENSDFSTATE2.3"
    export OMP_NUM_THREADS=1
    export SHELL=/bin/bash

%post
    export DEBIAN_FRONTEND=noninteractive
    
    echo "deb http://us.archive.ubuntu.com/ubuntu jammy main universe" > /etc/apt/sources.list
    echo "deb http://us.archive.ubuntu.com/ubuntu/ jammy-security main universe" >> /etc/apt/sources.list
    apt-get -y update
    apt-get -y upgrade
    apt-get -y install                                             \
        less                                                       \
        wget                                                       \
        libgsl27                                                   \
        libzmq5                                                    \
        libpcre3                                                   \
        libpcap0.8                                                 \
        zlib1g                                                     \
        python3                                                    \
        python3-pip                                                \
        cython3                                                    \
        fftw3                                                      \
        sqlite3                                                    \
        libxerces-c3.2                                             \
        vim                                                        \
        curl                                                       \
        ffmpeg                                                     \
        libgeos3.10.2                                              \
        libgeos-c1v5                                               \
        hdf5-tools                                                 \
        libjpeg8                                                   \
        libnetcdf19                                                \
        netcdf-bin                                                 \
        netcdf-doc                                                 \
        proj-bin                                                   \
        libproj22                                                  \
        libopenjp2-7                                               \
        libopenjp2-tools                                           \
        libzstd-dev                                                \
        libprotobuf-c1                                             \
        libprotobuf23                                              \
        libprotoc23                                                \
        valgrind                                                   \
        gdb                                                        \
        hdf5-tools

    apt-get -y autoremove
    apt-get -y clean

    pip3 install --upgrade pip
    pip3 install numpy scipy matplotlib notebook cdsapi ecmwf-api-client astropy gammapy
    pip3 install google-api-python-client google-auth-httplib2 google-auth-oauthlib

    export G4DATADIR=/usr/share/Geant4/data
    # export G4URL=http://geant4-data.web.cern.ch/datasets
    export G4URL=https://cern.ch/geant4-data/datasets
    mkdir -p $G4DATADIR

    curl -L $G4URL/G4NDL.4.7.1.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4EMLOW.8.5.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4PhotonEvaporation.5.7.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4RadioactiveDecay.5.6.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4SAIDDATA.2.0.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4PARTICLEXS.4.0.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4ABLA.3.3.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4INCL.1.2.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4PII.1.3.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4ENSDFSTATE.2.3.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4RealSurface.2.2.tar.gz | tar -C $G4DATADIR -zxf -
    curl -L $G4URL/G4TENDL.1.4.tar.gz | tar -C $G4DATADIR -zxf -

    export CTA_ADH_APIS_REL=ubuntu-22.04
    export GEANT4_REL=ubuntu-22.04-11.2.2-OFF

    curl -L https://github.com/llr-cta/CTA_ADH_APIS_Build/releases/download/$CTA_ADH_APIS_REL/cta_adh_apis_installed.tgz | tar -zxf - -C /
    curl -L https://github.com/llr-cta/Geant4Build/releases/download/$GEANT4_REL/Geant4-$GEANT4_REL.tbz2 | tar -jxf - -C /

    tar -zxf /tmp/calin_installed.tgz -C /
    rm -f /tmp/calin_installed.tgz

    jupyter notebook --allow-root --generate-config
    sed -i -e '/c.NotebookApp.ip/s/^#//'                           \
           -e '/c.NotebookApp.ip/s/localhost/*/'                   \
           -e '/c.NotebookApp.allow_origin =/s/^#//'               \
           -e "/c.NotebookApp.allow_origin =/s/''/'*'/"            \
           -e '/c.NotebookApp.open_browser/s/^#//'                 \
           -e '/c.NotebookApp.open_browser/s/True/False/'          \
           -e '/c.NotebookApp.allow_root/s/^#//'                   \
           -e '/c.NotebookApp.allow_root/s/False/True/'            \
       /root/.jupyter/jupyter_notebook_config.py

    mkdir /data

    ldconfig

    NOW=`date`
    echo "export NOW=\"${NOW}\"" >> $SINGULARITY_ENVIRONMENT

%labels
    Author sfegan@llr.in2p3.fr
    Version v0.0.1

%help
    This is a container containing calin and all of its dependencies

%runscript
    exec /usr/bin/jupyter-notebook "$@"