Addition of HEPMC3 and GENIE Reweight to docker image

Dockerfile

@@ -1,7 +1,6 @@
-
-FROM ubuntu:22.04
-LABEL ubuntu.version="22.04"
-MAINTAINER Tom Eichlersmith <eichl008@umn.edu>
+FROM ubuntu:24.04
+LABEL maintainer="Tom Eichlersmith <eichl008@umn.edu>, Tamas Almos Vami <Tamas.Almos.Vami@cern.ch>"
+LABEL ubuntu.version="24.04"
 
 ARG NPROC=1
 
@@ -50,7 +49,10 @@ RUN install-ubuntu-packages \
     sudo \
     time \
     util-linux \
-    zsh
+    zsh \
+    libx11-dev \
+    libxmu-dev \
+    && rm -rf /var/lib/apt/lists/*
 
 # Basic python support, necessary for the build steps.
 #
@@ -68,10 +70,10 @@ RUN install-ubuntu-packages \
 #
 #   Adapted from acts-project/machines
 ###############################################################################
-ENV __wget wget -q -O -
+ENV __wget="wget -q -O -"
 ENV __untar_to="tar -xz --strip-components=1 --directory"
 ENV __untar="${__untar_to} src"
-ENV __prefix /usr/local
+ENV __prefix="/usr/local"
 
 # this directory is where folks should "install" code compiled with the container
 #    i.e. folks should mount a local install directory to /externals so that the
@@ -86,9 +88,8 @@ ENV CMAKE_PREFIX_PATH="${EXTERNAL_INSTALL_DIR}:${__prefix}"
 # Xerces-C 
 #   Used by Geant4 to parse GDML
 ################################################################################
-ENV XERCESC_VERSION="3.2.4"
+ENV XERCESC_VERSION="3.3.0"
 LABEL xercesc.version=${XERCESC_VERSION}
-#LABEL xercesc.version="3.2.4"
 RUN mkdir src &&\
     ${__wget} http://archive.apache.org/dist/xerces/c/3/sources/xerces-c-${XERCESC_VERSION}.tar.gz |\
       ${__untar} &&\
@@ -97,55 +98,38 @@ RUN mkdir src &&\
     rm -rf src
 
 ###############################################################################
-# PYTHIA6
-#
-# Needed for GENIE. Needs to be linked with ROOT.
+# LHAPDF
 #
-# Looks complicated? Tell me about it.
-# Core of what's done follows from here: 
-#   https://root-forum.cern.ch/t/root-with-pythia6-and-pythia8/19211
-# (1) Download pythia6 build tarball from ROOT. Known to lead to a build that can work with ROOT.
-# (2) Download the latest Pythia6 (6.4.2.8) from Pythia. Yes, it's still ancient.
-# (3) Declare extern some definitions that need to be extern via sed. 
-#     Compiler/linker warns. Hard-won solution.
-# (4) Build with C and FORTRAN the various pieces.
-# (5) Put everything in a directory in the install area, and cleanup.
+# Needed for GENIE
 #
-# (Ideally GENIE works with Pythia8? But not sure that works yet despite the adverts that it does.)
-# 
+# - We disable the python subpackage because it is based on Python2 whose
+#   executable has been removed from Ubuntu 22.04.
 ###############################################################################
-ENV PYTHIA_VERSION="6.428"
-ENV PREVIOUS_PYTHIA_VERSION="6.416"
-ENV PYTHIA_MAJOR_VERSION=6
-LABEL pythia.version=${PYTHIA_VERSION}
-#"6.428"
-# Pythia uses an un-dotted version file naming convention. To deal with that
-# we need some string manipulation and exports that work best with bash 
-SHELL ["/bin/bash", "-c"] 
-#ENV PYTHIA_MAJOR_VERSION=$(awk '{print int($1) }' <<< ${PYTHIA_VERSION} ) 
-#    export PYTHIA_MAJOR_VERSION=$(awk '{print int($1) }' <<< ${PYTHIA_VERSION} )  &&\
+LABEL lhapdf.version="6.5.5"
+RUN mkdir src &&\
+    ${__wget} https://lhapdf.hepforge.org/downloads/?f=LHAPDF-6.5.5.tar.gz |\
+      ${__untar} &&\
+    cd src &&\
+    ./configure --disable-python --prefix=${__prefix} &&\
+    make -j$NPROC install &&\
+    cd ../ &&\
+    rm -rf src
+
+###############################################################################
+# PYTHIA8
+###############################################################################
+RUN install-ubuntu-packages \
+    rsync
 
+LABEL pythia.version="8.313"
 RUN mkdir src && \
-    export PYTHIA_VERSION_INTEGER=$(awk '{print $1*1000}' <<< ${PYTHIA_VERSION} )  &&\
-    export PREVIOUS_PYTHIA_VERSION_INTEGER=$(awk '{print $1*1000}' <<< ${PREVIOUS_PYTHIA_VERSION} )  &&\
-    ${__wget} https://root.cern.ch/download/pythia${PYTHIA_MAJOR_VERSION}.tar.gz | ${__untar} &&\
-    wget --no-check-certificate https://pythia.org/download/pythia${PYTHIA_MAJOR_VERSION}/pythia${PYTHIA_VERSION_INTEGER}.f &&\
-    mv pythia${PYTHIA_VERSION_INTEGER}.f src/pythia${PYTHIA_VERSION_INTEGER}.f && rm -rf src/pythia${PREVIOUS_PYTHIA_VERSION_INTEGER}.f &&\
-    cd src/ &&\
-    sed -i 's/int py/extern int py/g' pythia${PYTHIA_MAJOR_VERSION}_common_address.c && \
-    sed -i 's/extern int pyuppr/int pyuppr/g' pythia${PYTHIA_MAJOR_VERSION}_common_address.c && \
-    sed -i 's/char py/extern char py/g' pythia${PYTHIA_MAJOR_VERSION}_common_address.c && \
-    echo 'void MAIN__() {}' >main.c && \
-    gcc -c -fPIC -shared main.c -lgfortran && \
-    gcc -c -fPIC -shared pythia${PYTHIA_MAJOR_VERSION}_common_address.c -lgfortran && \
-    gfortran -c -fPIC -shared pythia*.f && \
-    gfortran -c -fPIC -shared -fno-second-underscore tpythia${PYTHIA_MAJOR_VERSION}_called_from_cc.F && \
-    gfortran -shared -Wl,-soname,libPythia${PYTHIA_MAJOR_VERSION}.so -o libPythia${PYTHIA_MAJOR_VERSION}.so main.o  pythia*.o tpythia*.o &&\
-    mkdir -p ${__prefix}/pythia${PYTHIA_MAJOR_VERSION} && cp -r * ${__prefix}/pythia${PYTHIA_MAJOR_VERSION}/ &&\
-    cd ../ && rm -rf src &&\
-    echo "${__prefix}/pythia${PYTHIA_MAJOR_VERSION}/" > /etc/ld.so.conf.d/pythia${PYTHIA_MAJOR_VERSION}.conf 
-
-SHELL ["/bin/sh", "-c"] 
+    ${__wget} https://pythia.org/download/pythia83/pythia8313.tgz | ${__untar} &&\
+    cd src &&\
+    ./configure --with-lhapdf6 --prefix=${__prefix} &&\
+    make -j$NPROC install &&\
+    cd ../ &&\
+    rm -rf src
+
 ###############################################################################
 # CERN's ROOT
 #  Needed for GENIE and serialization within the Framework
@@ -182,7 +166,6 @@ RUN install-ubuntu-packages \
     libjpeg-dev \
     liblz4-dev \
     liblzma-dev \
-    libpcre++-dev \
     libpng-dev \
     libx11-dev \
     libxext-dev \
@@ -195,36 +178,33 @@ RUN install-ubuntu-packages \
     srm-ifce-dev \
     libgsl-dev # Necessary for GENIE
 
-ENV ROOT_VERSION="6.22.08"
+ENV ROOT_VERSION="6.34.04"
 LABEL root.version=${ROOT_VERSION}
 RUN mkdir src &&\
     ${__wget} https://root.cern/download/root_v${ROOT_VERSION}.source.tar.gz |\
      ${__untar} &&\
     cmake \
       -DCMAKE_BUILD_TYPE=Release \
-      -DCMAKE_CXX_STANDARD=17 \
+      -DCMAKE_CXX_STANDARD=20 \
       -DCMAKE_INSTALL_PREFIX=${__prefix} \
       -DCMAKE_INSTALL_LIBDIR=lib \
       -Dgnuinstall=ON \
       -Dgminimal=ON \
       -Dasimage=ON \
+      -Dgeom=ON \
       -Dgdml=ON \
       -Dopengl=ON \
       -Dpyroot=ON \
       -Dxrootd=OFF \
-      -Dgsl_shared=ON \ 
       -Dmathmore=ON \   
-      -Dpythia6=ON \    
-      -DPYTHIA6_LIBRARY=${__prefix}/pythia6/libPythia6.so \
+      -Dpythia8=ON \    
       -B build \
       -S src \
     && cmake --build build --target install -j$NPROC &&\
     rm -rf build src &&\
     ldconfig
 ENV ROOTSYS=${__prefix}
 ENV PYTHONPATH=${ROOTSYS}/lib:${PYTHONPATH}
-ENV JUPYTER_PATH=${ROOTSYS}/etc/notebook:${JUPYTER_PATH}
-ENV JUPYTER_CONFIG_DIR=${ROOTSYS}/etc/notebook:${JUPYTER_CONFIG_DIR}
 ENV CLING_STANDARD_PCH=none
 
 ###############################################################################
@@ -271,6 +251,7 @@ ENV G4ABLADATA="${G4DATADIR}/G4ABLA3.0"
 ENV G4INCLDATA="${G4DATADIR}/G4INCL1.0"
 ENV G4ENSDFSTATEDATA="${G4DATADIR}/G4ENSDFSTATE1.2.3"
 ENV G4NEUTRONXSDATA="${G4DATADIR}/G4NEUTRONXS1.4"
+
 ################################################################################
 # Install Eigen headers into container
 #
@@ -295,24 +276,31 @@ RUN mkdir src &&\
     rm -rf src 
 
 ###############################################################################
-# LHAPDF
+# Install HEPMC for use as in interface with GENIE
 #
-# Needed for GENIE
-#
-# - We disable the python subpackage because it is based on Python2 whose
-#   executable has been removed from Ubuntu 22.04.
 ###############################################################################
-ENV LHAPDF_VERSION="6.5.3"
-LABEL lhapdf.version=${LHAPDF_VERSION}
+ENV HEPMC3=3.3.0
+LABEL hepmc3.version="${HEPMC3}"
 RUN mkdir src &&\
-    ${__wget} https://lhapdf.hepforge.org/downloads/?f=LHAPDF-${LHAPDF_VERSION}.tar.gz |\
+    ${__wget} http://hepmc.web.cern.ch/hepmc/releases/HepMC3-${HEPMC3}.tar.gz |\
       ${__untar} &&\
-    cd src &&\
-    ./configure --disable-python --prefix=${__prefix} &&\
-    make -j$NPROC install &&\
-    cd ../ &&\
+    cmake \
+      -DCMAKE_INSTALL_PREFIX=/usr/local \
+      -DHEPMC3_ENABLE_ROOTIO:BOOL=ON \
+#      -DHEPMC3_ENABLE_PROTOBUFIO:BOOL=ON \
+      -DHEPMC3_ENABLE_TEST:BOOL=OFF \
+      -DHEPMC3_INSTALL_INTERFACES:BOOL=ON \
+      -DHEPMC3_BUILD_STATIC_LIBS:BOOL=ON \
+      -DHEPMC3_BUILD_DOCS:BOOL=OFF \
+      -DHEPMC3_ENABLE_PYTHON:BOOL=ON \
+      -DHEPMC3_PYTHON_VERSIONS=3.10 \
+      -B src/build \
+      -S src \
+    &&\
+    cmake --build src/build --target install -j$NPROC && \
     rm -rf src
 
+
 ###############################################################################
 # GENIE
 #
@@ -344,33 +332,43 @@ RUN install-ubuntu-packages \
     liblog4cpp5-dev \
     libtool
 
-
-ENV GENIE_VERSION=3.02.00
-#ENV GENIE_REWEIGHT_VERSION=1_02_00
+LABEL genie.version=3.04.02
+ENV GENIE_VERSION=3_04_02-ldmx
 ENV GENIE=/usr/local/src/GENIE/Generator
-#ENV GENIE_DOT_VERSION="$(sed 's,_,\.,g' <<< $GENIE_VERSION )"
 LABEL genie.version=${GENIE_VERSION}
 
 SHELL ["/bin/bash", "-c"]
 
 RUN mkdir -p ${GENIE} &&\
-    export ENV GENIE_GET_VERSION="$(sed 's,\.,_,g' <<< $GENIE_VERSION )" &&\ 
-    ${__wget} https://github.com/GENIE-MC/Generator/archive/refs/tags/R-${GENIE_GET_VERSION}.tar.gz |\
+    #export ENV GENIE_GET_VERSION="$(sed 's,\.,_,g' <<< $GENIE_VERSION )" &&\
+    ${__wget} https://github.com/wesketchum/Generator/archive/refs/tags/R-${GENIE_VERSION}.tar.gz |\
       ${__untar_to} ${GENIE} &&\
     cd ${GENIE} &&\
     ./configure \
       --enable-lhapdf6 \
       --disable-lhapdf5 \
       --enable-gfortran \
       --with-gfortran-lib=/usr/x86_64-linux-gnu/ \
-      --disable-pythia8 \
-      --with-pythia6-lib=${__prefix}/pythia6 \
+      --disable-pythia6 \
+      --enable-pythia8 \
+      --with-pythia8-lib=${__prefix}/lib \
       --enable-test \
+      --enable-hepmc3 \
+      --with-hepmc3-lib=/usr/local/lib \
+      --with-hepmc3-inc=/usr/local/include \
     && \
     make -j$NPROC && \
     make -j$NPROC install
 
-SHELL ["/bin/sh", "-c"]
+ENV GENIE_REWEIGHT_VERSION=1_04_00
+ENV GENIE_REWEIGHT=/usr/local/src/GENIE/Reweight
+RUN mkdir -p ${GENIE_REWEIGHT} &&\
+    #export ENV GENIE_REWEIGHT_GET_VERSION="$(sed 's,\.,_,g' <<< $GENIE_REWEIGHT_VERSION )" &&\ 
+    ${__wget} https://github.com/GENIE-MC/Reweight/archive/refs/tags/R-${GENIE_REWEIGHT_VERSION}.tar.gz |\
+    ${__untar_to} ${GENIE_REWEIGHT} &&\
+    cd ${GENIE_REWEIGHT} &&\
+    make -j$NPROC && \
+    make -j$NPROC install
 
 ###############################################################################
 # Catch2
@@ -444,7 +442,7 @@ RUN ldconfig -v
 # Extra python packages for analysis
 ###############################################################################
 COPY ./python_packages.txt /etc/python_packages.txt
-RUN python3 -m pip install --no-cache-dir --requirement /etc/python_packages.txt
+RUN python3 -m pip install --no-cache-dir --break-system-packages --requirement /etc/python_packages.txt
 
 # Dependencies for LDMX-sw and/or the container environment
 RUN install-ubuntu-packages \

ldmx-env-init.sh

@@ -21,8 +21,8 @@ export PYTHONPATH="${LDMX_SW_INSTALL}/python:${LDMX_SW_INSTALL}/lib:${PYTHONPATH
 export PATH="${LDMX_SW_INSTALL}/bin:${PATH}"
 
 #add what we need for GENIE 
-export LD_LIBRARY_PATH="${GENIE}/lib:/usr/local/pythia6:${LD_LIBRARY_PATH}"
-export PATH="${GENIE}/bin:${PATH}"
+export LD_LIBRARY_PATH="${GENIE}/lib:${GENIE_REWEIGHT}/lib:/usr/local/pythia6:${LD_LIBRARY_PATH}"
+export PATH="${GENIE}/bin:${GENIE_REWEIGHT}/bin:${PATH}"
 
 # Developer option: If a custom geant4 install is to be used, source the
 # environment script from that install

python_packages.txt

@@ -1,28 +1,29 @@
-contourpy==1.0.6
-cycler==0.11.0
-Cython==0.29.32
-fonttools==4.38.0
-joblib==1.2.0
-kiwisolver==1.4.4
-llvmlite==0.39.1
-matplotlib==3.6.2
-mplhep==0.3.26
-mplhep-data==0.0.3
-numba==0.56.4
-numpy==1.21.5
-packaging==21.3
-pandas==1.5.2
-Pillow==9.3.0
-pip==22.0.2
-pyparsing==3.0.9
-python-dateutil==2.8.2
-pytz==2022.6
-scikit-learn==1.1.3
-scipy==1.9.3
-setuptools==59.6.0
-six==1.16.0
-threadpoolctl==3.1.0
-uhi==0.3.2
-uproot==4.3.7
-wheel==0.37.1
-xgboost==1.7.1
+contourpy
+cycler
+Cython
+fonttools
+joblib
+kiwisolver
+llvmlite
+matplotlib
+mplhep
+mplhep-data
+numba
+numpy
+packaging
+pandas
+Pillow
+pip
+pyparsing
+python-dateutil
+pytz
+scikit-learn
+scipy
+setuptools
+six
+threadpoolctl
+uhi
+uproot
+wheel
+xgboost
+pyhepmc