some updates, definition-files

definition-files/almalinux/Singularity.imagemagick

+Bootstrap: docker
+From: almalinux:8
+
+%labels
+    maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+    $PWD/definition-files/runscript /.singularity.d/runscript
+    $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+    dnf update -y \
+    && yum install -y dnf-plugins-core \
+    && dnf config-manager --set-enabled powertools \
+    && yum install -y epel-release \
+    && yum update -y \
+    && yum --enablerepo epel install -y ImageMagick ImageMagick-devel ImageMagick-perl \
+    && rm -rf /var/cache/yum \
+    && yum clean all \
+    && dnf clean all
+    # command prompt name
+    CNAME=alma8.magick
+    # does not work goes into /.singularity.d/env/91-environment.sh 
+    echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+    # add some labels
+    echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+    echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+    export LANG=C.UTF-8
+    export LIBRARY=/usr/lib64:/lib64:/lib
+    export INCLUDE=/usr/include
\ No newline at end of file

definition-files/debian/Singularity.texlive

+Bootstrap: docker
+From: texlive:latest
+
+%labels
+    maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+    $PWD/definition-files/runscript /.singularity.d/runscript
+    $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+    # command prompt name
+    CNAME=deb.texlive
+    # does not work goes into /.singularity.d/env/91-environment.sh 
+    echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+    # add some labels
+    echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+    echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+    export LANG=C.UTF-8
+    export LIBRARY=/usr/local/lib:/usr/local/lib/x86_64-linux-gnu:/lib/x86_64-linux-gnu:/usr/lib/x86_64-linux-gnu:/lib64
+    export INCLUDE=/usr/include
\ No newline at end of file

models/CESM/Singularity.gcc8

+Bootstrap: docker
+From: debian:buster
+Stage: spython-base
+
+%labels
+autogen="no" 
+software="CESM Libraries" 
+version="2" 
+software.version="2.1.1" 
+about.summary="Community Earth System Model" 
+base_image="debian:buster" 
+about.home="http://www.cesm.ucar.edu/models/simpler-models/fkessler/index.html" 
+about.license="Copyright (c) 2017, University Corporation for Atmospheric Research (UCAR). All rights reserved."
+MAINTAINER Anne Fouilloux <annefou@geo.uio.no>
+
+%post
+#####EXTRA LABELS#####
+
+apt-get update -y && apt-get install -y wget git cmake liblapack-dev \
+build-essential gfortran gdb strace m4 python subversion \
+libxml2-utils libxml-libxml-perl csh vim nano
+
+nproc=8
+
+# wget -q http://www.mpich.org/static/downloads/3.1.4/mpich-3.1.4.tar.gz \
+# && tar xf mpich-3.1.4.tar.gz \
+# && cd mpich-3.1.4 \
+# && ./configure --enable-fast=all,O3 \
+# && make -j$(nproc) \
+# && make install \
+# && cd .. \
+# && rm -rf mpich-3.1.4 \
+# && rm -f mpich-3.1.4.tar.gz \
+# && ldconfig
+
+
+# Same version on VSC-4
+wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.bz2 \
+&& tar -xjf openmpi-3.1.4.tar.bz2 \
+&& cd openmpi-3.1.4 \
+&& ./configure --prefix=/usr \
+&& make -j$(nproc) \
+&& make install \
+&& cd .. \
+&& rm -rf openmpi-3.1.4.tar.bz2 openmpi-3.1.4 \
+&& ldconfig
+
+
+#wget https://www.zlib.net/zlib-1.2.11.tar.gz \
+wget https://zlib.net/zlib-1.2.13.tar.gz \
+&& tar xf zlib-1.2.13.tar.gz \
+&& cd zlib-1.2.13 \
+&& ./configure --prefix=/usr \
+&& make \
+&& make install \
+&& cd .. \
+&& rm -rf zlib-1.2.13.tar.gz zlib-1.2.13
+
+
+wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz \
+&& tar xf hdf5-1.10.5.tar.gz \
+&& cd hdf5-1.10.5 \
+&& ./configure --enable-fortran --enable-parallel --prefix=/usr \
+&& make -j$(nproc) \
+&& make install  \
+&& cd .. \
+&& rm -rf hdf5-1.10.5.tar.gz hdf5-1.10.5
+
+# wget https://www.unidata.ucar.edu/downloads/netcdf/ftp/netcdf-c-4.7.2.tar.gz \
+wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.7.2.tar.gz \
+&& tar xf v4.7.2.tar.gz \
+&& cd netcdf-c-4.7.2 \
+&& ./configure --enable-netcdf4 --disable-dap --prefix=/usr \
+&& make -j$(nproc) \
+&& make install \
+&& cd .. \
+&& rm -rf netcdf-c-4.7.2.tar.gz netcdf-c-4.7.2
+
+
+# wget https://www.unidata.ucar.edu/downloads/netcdf/ftp/netcdf-fortran-4.5.2.tar.gz \
+wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.2.tar.gz \
+&& tar xf v4.5.2.tar.gz \
+&& cd netcdf-fortran-4.5.2 \
+&& CC=mpicc CXX=mpicxx FC=mpif90  CPPFLAGS=-I/usr/include LDFLAGS=-L/usr/lib ./configure --prefix=/usr \
+&& make -j1 \
+&& make install \
+&& cd .. \
+&& rm -rf netcdf-fortran-4.5.2.tar.gz netcdf-fortran-4.5.2
+
+# %runscript
+# exec /bin/bash /bin/bash "$@"
+# %startscript
+# exec /bin/bash /bin/bash "$@"

models/CESM/fkessler/Dockerfile

+FROM debian:buster
+
+#####EXTRA LABELS#####
+LABEL autogen="no" \ 
+    software="CESM Libraries" \ 
+    version="2" \
+    software.version="2.1.1" \ 
+    about.summary="Community Earth System Model" \ 
+    base_image="debian:buster" \
+    about.home="http://www.cesm.ucar.edu/models/simpler-models/fkessler/index.html" \
+    about.license="Copyright (c) 2017, University Corporation for Atmospheric Research (UCAR). All rights reserved." 
+      
+MAINTAINER Anne Fouilloux <annefou@geo.uio.no>
+
+RUN apt-get update -y && apt-get install -y wget git cmake liblapack-dev \
+    build-essential gfortran gdb strace m4 python subversion \
+    libxml2-utils libxml-libxml-perl csh vim nano
+
+RUN wget -q http://www.mpich.org/static/downloads/3.1.4/mpich-3.1.4.tar.gz \
+    && tar xf mpich-3.1.4.tar.gz \
+    && cd mpich-3.1.4 \
+    && ./configure --enable-fast=all,O3 \
+    && make -j$(nproc) \
+    && make install \
+    && cd .. \
+    && rm -rf mpich-3.1.4 \
+    && rm -f mpich-3.1.4.tar.gz \
+    && ldconfig
+
+RUN wget https://www.zlib.net/zlib-1.2.11.tar.gz \
+    && tar xf zlib-1.2.11.tar.gz \
+    && cd zlib-1.2.11 \
+    && ./configure \
+    && make \
+    && make install \
+    && cd .. \
+    && rm -rf zlib-1.2.11.tar.gz zlib-1.2.11
+
+RUN wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz \
+    && tar xf hdf5-1.10.5.tar.gz \
+    && cd hdf5-1.10.5 \
+    && ./configure --enable-fortran --enable-parallel --prefix=/usr \
+    && make -j$(nproc) \
+    && make install  \
+    && cd .. \
+    && rm -rf hdf5-1.10.5.tar.gz hdf5-1.10.5
+
+RUN wget https://www.unidata.ucar.edu/downloads/netcdf/ftp/netcdf-c-4.7.2.tar.gz \
+    && tar xf netcdf-c-4.7.2.tar.gz \
+    && cd netcdf-c-4.7.2 \
+    && ./configure --enable-netcdf4 --disable-dap --prefix=/usr \
+    && make -j$(nproc) \
+    && make install \
+    && cd .. \
+    && rm -rf netcdf-c-4.7.2.tar.gz netcdf-c-4.7.2
+
+RUN wget https://www.unidata.ucar.edu/downloads/netcdf/ftp/netcdf-fortran-4.5.2.tar.gz \
+    && tar xf netcdf-fortran-4.5.2.tar.gz \
+    && cd netcdf-fortran-4.5.2 \
+    && CC=mpicc CXX=mpicxx FC=mpif90  CPPFLAGS=-I/usr/include LDFLAGS=-L/usr/lib ./configure --prefix=/usr \
+    && make -j$(nproc) \
+    && make install \
+    && cd .. \
+    && rm -rf netcdf-fortran-4.5.2.tar.gz netcdf-fortran-4.5.2
+
+CMD ["/bin/bash"]