diff --git a/tools/singularity/fedora36_mingw.def b/tools/singularity/fedora36_mingw.def
new file mode 100644
index 0000000000..79213e9e92
--- /dev/null
+++ b/tools/singularity/fedora36_mingw.def
@@ -0,0 +1,125 @@
+BootStrap: docker
+From: fedora:36
+
+%post
+        dnf -y update
+        dnf -y install vim-enhanced git file make cmake patch which file Lmod \
+               ninja-build clang clang-tools-extra libomp-devel libubsan libasan libtsan \
+               diffutils dos2unix findutils rsync python-devel libjpeg-devel libpng-devel \
+               ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
+               openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
+               netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
+               readline-devel python3-pyyaml python3-Cython \
+               mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
+               mingw32-filesystem mingw32-pkg-config \
+               mingw64-filesystem mingw64-pkg-config \
+               mingw32-crt mingw32-headers mingw32-binutils \
+               mingw64-crt mingw64-headers mingw64-binutils \
+               mingw32-cpp mingw32-gcc mingw32-gcc-gfortran mingw32-gcc-c++ \
+               mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
+               mingw32-libgomp mingw64-libgomp \
+               mingw32-winpthreads mingw64-winpthreads \
+               mingw32-eigen3 mingw64-eigen3 \
+               mingw32-fftw mingw64-fftw \
+               mingw32-libjpeg-turbo mingw64-libjpeg-turbo \
+               mingw32-libpng mingw64-libpng \
+               mingw32-python3 mingw64-python3 \
+               mingw32-python3-numpy mingw64-python3-numpy \
+               mingw32-python3-pyyaml mingw64-python3-pyyaml \
+               mingw32-python3-setuptools mingw64-python3-setuptools \
+               mingw32-readline mingw64-readline \
+               mingw32-termcap mingw64-termcap \
+               mingw32-zlib mingw64-zlib \
+               mingw32-zstd mingw64-zstd \
+               enchant python3-virtualenv doxygen latexmk \
+               texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
+               texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
+               texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
+               texlive-framed texlive-wrapfig texlive-upquote texlive-capt-of \
+               texlive-needspace texlive-titlesec texlive-anysize texlive-dvipng texlive-xindy \
+               blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel \
+               zstd libzstd-devel yaml-cpp-devel
+        dnf clean all
+
+        # enable Lmod and load MPI
+        source /usr/share/lmod/lmod/init/profile
+        module purge
+        module load mpi
+
+        # manually install Plumed
+        mkdir plumed
+        cd plumed
+        version=2.7.4
+        curl -L -o plumed.tar.gz https://github.com/plumed/plumed2/releases/download/v${version}/plumed-src-${version}.tgz
+        tar -xzf plumed.tar.gz
+        cd plumed-${version}
+        ./configure --disable-doc --prefix=/usr
+        make
+        make install
+        # fix up installation for CentOS and Fedora
+        mv -v /usr/lib64/pkgconfig/plumed* /usr/share/pkgconfig/
+        cd ../../
+        rm -rvf plumed
+
+        # create missing termcap pkgconfig files
+        cat > /usr/i686-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
+prefix=/usr/i686-w64-mingw32/sys-root/mingw
+exec_prefix=/usr/i686-w64-mingw32/sys-root/mingw
+libdir=/usr/i686-w64-mingw32/sys-root/mingw/lib
+includedir=/usr/i686-w64-mingw32/sys-root/mingw/include
+
+Name: Termcap
+Description: GNU/MinGW terminal feature database
+URL: ftp://ftp.gnu.org/gnu/termcap/
+Version: 1.3
+Libs: -L\${libdir} -ltermcap
+Cflags:
+EOF
+        cat > /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
+prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
+exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
+libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib
+includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include
+
+Name: Termcap
+Description: GNU/MinGW terminal feature database
+URL: ftp://ftp.gnu.org/gnu/termcap/
+Version: 1.3
+Libs: -L\${libdir} -ltermcap
+Cflags:
+EOF
+        # set custom prompt indicating the container name
+        CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+        cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[fedora36:\u@\h] \W> "
+EOF
+        chmod 755 $CUSTOM_PROMPT_ENV
+
+%environment
+        # we need to reset any module variables
+        # inherited from the host.
+        unset __LMOD_REF_COUNT__LMFILES_
+        unset __LMOD_REF_COUNT_PATH
+        unset __LMOD_REF_COUNT_LD_LIBRARY_PATH
+        unset __LMOD_REF_COUNT_MANPATH
+        unset __LMOD_REF_COUNT_MODULEPATH
+        unset __LMOD_REF_COUNT_LOADEDMODULES
+        unset _LMFILES_
+        unset MODULEPATH
+        unset MODULESHOME
+        unset MODULEPATH_ROOT
+        unset LOADEDMODULES
+        unset LMOD_SYSTEM_DEFAULT_MODULES
+
+        # load MPI by default
+        . /etc/profile
+        module load mpi
+        # tell OpenMPI to not try using Infiniband
+        OMPI_MCA_btl="^openib"
+        # do not warn about unused components as this messes up testing
+        OMPI_MCA_btl_base_warn_component_unused="0"
+        export OMPI_MCA_btl OMPI_MCA_btl_base_warn_component_unused
+
+%labels
+        Author akohlmey, rbberger
diff --git a/tools/singularity/ubuntu22.04.def b/tools/singularity/ubuntu22.04.def
new file mode 100644
index 0000000000..cf4aa7e175
--- /dev/null
+++ b/tools/singularity/ubuntu22.04.def
@@ -0,0 +1,149 @@
+BootStrap: docker
+From: ubuntu:22.04
+
+%post
+    export DEBIAN_FRONTEND=noninteractive
+    apt-get update
+    apt-get install --no-install-recommends -y software-properties-common
+#    add-apt-repository ppa:openkim/latest
+    apt-get update
+    apt-get upgrade --no-install-recommends -y
+    apt-get install --no-install-recommends -y \
+        bc \
+        build-essential \
+        ccache \
+        clang \
+        cmake \
+        cmake-curses-gui \
+        curl \
+        doxygen \
+        enchant-2 \
+        g++ \
+        gcc \
+        gfortran \
+        git \
+        hdf5-tools \
+        less \
+        libblas-dev \
+        libeigen3-dev \
+        libenchant-2-dev \
+        libfftw3-dev \
+        libgsl-dev \
+        libhdf5-serial-dev \
+        libhwloc-dev \
+        libjpeg-dev \
+        liblapack-dev \
+        libnetcdf-dev \
+        libomp-dev \
+        libopenblas-dev \
+        libnuma-dev \
+        libpng-dev \
+        libproj-dev \
+        libreadline-dev \
+        libvtk9-dev \
+        libyaml-dev \
+        libzstd-dev \
+        make \
+        mpi-default-bin \
+        mpi-default-dev \
+        ninja-build \
+        python3-dev \
+        python3-pip \
+        python3-pkg-resources \
+        python3-setuptools \
+        python3-virtualenv \
+        python3-venv \
+        rsync \
+        ssh \
+        texlive \
+        texlive-latex-recommended \
+        texlive-formats-extra \
+        texlive-pictures \
+        texlive-publishers \
+        texlive-science \
+        dvipng \
+        latexmk \
+        xindy \
+        vim-nox \
+        virtualenv \
+        voro++-dev \
+        wget \
+        xxd \
+        valgrind \
+        gdb \
+        zstd \
+        libyaml-cpp-dev \
+        libkim-api-dev \
+        gpg-agent \
+#        openkim-models
+
+#    ###########################################################################
+#    # KIM-API
+#    ###########################################################################
+#
+#    # workaround for installing files in /usr/share/doc inside of a container
+#    sed -i 's/path-exclude=\/usr\/share\/doc/#path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes
+#    apt-get install -y libkim-api-doc
+#    sed -i 's/#path-exclude=\/usr\/share\/doc/path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes
+#
+#    # install KIM models
+#    KIM_API_EXAMPLES=/usr/share/doc/libkim-api-dev/examples
+#    gunzip $KIM_API_EXAMPLES/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003/LennardJones612_UniversalShifted.params.gz
+#    gunzip $KIM_API_EXAMPLES/model-drivers/ex_model_driver_P_LJ/ex_model_driver_P_LJ.f90.gz
+#
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/LennardJones612__MD_414112407348_003
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/ex_model_driver_P_LJ
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones_Ar
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/ex_model_Ar_P_LJ
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003
+#    kim-api-collections-management install system $KIM_API_EXAMPLES/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu
+
+
+    ###########################################################################
+    # Plumed
+    ###########################################################################
+
+    export PLUMED_PKG_VERSION=2.7.4
+
+    mkdir plumed
+    cd plumed
+    curl -L -o plumed.tar.gz https://github.com/plumed/plumed2/releases/download/v${PLUMED_PKG_VERSION}/plumed-src-${PLUMED_PKG_VERSION}.tgz
+    tar -xzf plumed.tar.gz
+    cd plumed-${PLUMED_PKG_VERSION}
+    ./configure --disable-doc --prefix=/usr
+    make
+    make install
+    cd ../../
+    rm -rvf plumed
+
+    ###########################################################################
+    # Customizations
+    ###########################################################################
+
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu22.04:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
+    ###########################################################################
+    # Cleanup
+    ###########################################################################
+    # clean cache
+    rm -rf /var/lib/apt/lists/*
+
+%environment
+    LC_ALL=C
+    export LC_ALL
+    export PATH=/usr/lib/ccache:$PATH
+    # tell OpenMPI to not try using Infiniband
+    OMPI_MCA_btl="^openib"
+    # do not warn about unused components as this messes up testing
+    OMPI_MCA_btl_base_warn_component_unused="0"
+    export OMPI_MCA_btl OMPI_MCA_btl_base_warn_component_unused
+
+%labels
+    Author akohlmey, rbberger