diff --git a/.github/dependabot.yml b/.github/dependabot.yml
new file mode 100644
index 00000000..228ed394
--- /dev/null
+++ b/.github/dependabot.yml
@@ -0,0 +1,10 @@
+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "weekly"
+    groups:
+      batch:
+        patterns:
+          - "*"
diff --git a/.github/workflows/docker.yml b/.github/workflows/docker.yml
new file mode 100644
index 00000000..34a01c37
--- /dev/null
+++ b/.github/workflows/docker.yml
@@ -0,0 +1,57 @@
+name: Create and publish Docker images
+
+on:
+  push: { branches: [ unstable ] }
+  pull_request: { branches: [ unstable ] }
+  workflow_call:
+  workflow_dispatch:
+
+jobs:
+  build-and-push-image:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+        - name: github_ci
+        - name: openmpi
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+
+      - name: Setup Docker buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Log in to the Container registry
+        if: github.event_name != 'pull_request'
+        uses: docker/login-action@v3
+        with:
+          registry: ghcr.io
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@v5
+        with:
+          images: ghcr.io/${{ github.repository }}_${{ matrix.name }}
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@v5
+        with:
+          context: ./Docker
+          file: ./Docker/${{ matrix.name }}_dockerfile
+          build-args: |
+            NCORES=2
+          # cache pkgs layer in dockerfile
+          no-cache-filters: pkgs
+          push: ${{ github.event_name != 'pull_request' }}
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
+          cache-from: type=gha,scope=${{ github.ref_name }}-${{ matrix.name }}
+          cache-to: type=gha,mode=max,scope=${{ github.ref_name }}-${{ matrix.name }}
diff --git a/Docker/github_ci_dockerfile b/Docker/github_ci_dockerfile
index 4833d2e8..fd5bd6f1 100644
--- a/Docker/github_ci_dockerfile
+++ b/Docker/github_ci_dockerfile
@@ -1,66 +1,78 @@
-FROM ubuntu:22.04
+FROM ubuntu:22.04 AS base
 
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
+      build-essential \
+      ca-certificates \
       cmake \
+      curl \
+      cython3 \
+      debhelper \
+      dh-python \
       g++-12 \
       gfortran-12 \
       git \
       hdf5-tools \
-      liblapack-dev \
       libboost-dev \
       libfftw3-dev \
-      libnfft3-dev \
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
+      liblapack-dev \
+      libnfft3-dev \
+      libomp-dev \
       libopenmpi-dev \
-      cython3 \
+      libpython3-dev \
       openmpi-bin \
       openmpi-common \
       openmpi-doc \
+      openssl \
+      pandoc \
+      python-is-python3 \
+      python3-ase \
+      python3-decorator \
       python3-dev \
+      python3-jinja2 \
       python3-mako \
-      python3-numpy \
-      python3-scipy \
       python3-matplotlib \
+      python3-monty \
       python3-mpi4py \
-      python3-pip \
-      python3-sphinx \
+      python3-myst-parser \
       python3-nbsphinx \
-      python3-skimage \
       python3-notebook \
-      libpython3-dev \
-      curl \
-      ca-certificates \
-      openssl \
-      wget \
+      python3-numpy \
+      python3-pip \
+      python3-pytest \
+      python3-scipy \
+      python3-shapely \
+      python3-skimage \
+      python3-sphinx \
+      python3-sphinx-rtd-theme \
       rsync \
-      libomp-dev \
       sudo \
-      nodejs \
-      npm \
       && \
       apt-get autoremove --purge -y && \
       apt-get autoclean -y && \
       rm -rf /var/cache/apt/* /var/lib/apt/lists/*
 
-RUN pip3 install --no-cache-dir \
-    cython \
-    decorator \
-    pytest \
-    shapely \
-    monty \
-    mpi4py \
-    Jinja2 \
-    Mako \
-    ase \
-    tornado \
-    zmq \
-    tk  \
-    myst_parser \
-    sphinx_rtd_theme  \
-    linkify-it-py \
-    Pandoc
+# linkify-it-py (required by sphinx doc build) is not available in Ubuntu 22.04 as package
+# the following manually installs it and its only dependency uc-micro-py
+RUN mkdir -p /src && cd /src \
+ && curl -LOOO http://archive.ubuntu.com/ubuntu/pool/universe/u/uc-micro-py/uc-micro-py_1.0.1{-3.dsc,.orig.tar.xz,-3.debian.tar.xz} \
+ && dpkg-source -x uc-micro-py_1.0.1-3.dsc \
+ && cd uc-micro-py-1.0.1 \
+ && DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -b -d -uc -us \
+ && cd - \
+ && apt-get install ./python3-uc-micro_1.0.1-3_all.deb \
+ && curl -LOOO http://archive.ubuntu.com/ubuntu/pool/universe/l/linkify-it-py/linkify-it-py_2.0.0{-1.dsc,.orig.tar.gz,-1.debian.tar.xz} \
+ && dpkg-source -x linkify-it-py_2.0.0-1.dsc \
+ && cd linkify-it-py-2.0.0/ \
+ && DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -b -d -uc -us \
+ && cd - \
+ && apt-get install ./python3-linkify-it_2.0.0-1_all.deb \
+ && cd / && rm -rf /src
+
+# the above is cached by the github action workflow
+FROM base AS pkgs
 
 ENV OMP_NUM_THREADS=1
 ENV MKL_NUM_THREADS=1
@@ -81,6 +93,9 @@ ENV CPATH=/triqs/include:${CPATH} \
     LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
     PYTHONPATH=/triqs/lib/python3.10/site-packages:${PYTHONPATH} \
     CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
+    CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
+    CTEST_OUTPUT_ON_FAILURE=1 \
+    CTEST_PARALLEL_LEVEL=${NCORES} \
     TRIQS_ROOT=/triqs
 
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs \
@@ -121,6 +136,3 @@ RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/maxen
 # remove source
 RUN cd / && rm -rf source
 
-# make python3 default
-RUN `ln -s /usr/bin/python3 /usr/bin/python`
-
diff --git a/Docker/jupyter_start.sh b/Docker/jupyter_start.sh
index 4a003126..c410ac5a 100644
--- a/Docker/jupyter_start.sh
+++ b/Docker/jupyter_start.sh
@@ -1,4 +1,4 @@
 #!/bin/bash
 
-# start script for jupyterlab
-jupyter-lab --no-browser --port 8378 --ip=0.0.0.0 
+# start script for jupyter notebook
+jupyter notebook --no-browser --port 8378 --ip=0.0.0.0 
diff --git a/Docker/mpich_dockerfile b/Docker/mpich_dockerfile
old mode 100755
new mode 100644
index 679a2c81..54ee5308
--- a/Docker/mpich_dockerfile
+++ b/Docker/mpich_dockerfile
@@ -1,4 +1,5 @@
-FROM ubuntu:jammy
+FROM ubuntu:22.04 AS base
+ARG LLVM=15
 
 ##################################################
 # Essential packages and libraries               #
@@ -16,7 +17,7 @@ RUN apt-get update && \
     cmake \
 # OpenMP problem
     libmkl-gnu-thread \
-    libomp-dev \
+    libomp-${LLVM}-dev \
     libgomp1 \
 # Vasp, doesn't work with newer gfortran versions
     gfortran \
@@ -30,23 +31,39 @@ RUN apt-get update && \
 # For TRIQS
     libgmp-dev \
     libhdf5-dev \
-    clang \
-    libclang-dev \
+    clang-${LLVM} \
+    libclang-${LLVM}-dev \
+    libc++-${LLVM}-dev \
+    libc++abi-${LLVM}-dev \
     libboost-dev \
+    jupyter-notebook \
+    pandoc \
+    python-is-python3 \
+    python3-ase \
+    python3-decorator \
+    python3-dev \
+    python3-jinja2 \
+    python3-mako \
+    python3-matplotlib \
+    python3-monty \
+    python3-mpi4py \
+    python3-myst-parser \
+    python3-nbsphinx \
+    python3-notebook \
+    python3-numpy \
+    python3-pandas \
     python3-pip \
+    python3-pytest \
+    python3-scipy \
     python3-setuptools \
-    python3-dev \
+    python3-shapely \
+    python3-skimage \
+    python3-sphinx \
+    python3-sphinx-rtd-theme \
     libfftw3-dev \
     libnfft3-dev \
     less \
     vim \
-# Jupyter lab packages
-    texlive \
-    dvipng \
-    texlive-latex-extra \
-    texlive-fonts-recommended \
-    nodejs \
-    npm \
     && \
     apt-get autoremove --purge -y && \
     apt-get autoclean -y && \
@@ -59,138 +76,113 @@ RUN apt-get update && \
 
 RUN ldconfig -v
 
-##################################################
-# Python modules                                 #
-##################################################
-
-# Install python packages
-RUN pip3 install --no-cache-dir \
-    cython \
-    numpy \
-    scipy \
-    matplotlib \
-    decorator \
-    jupyter \
-    ipywidgets \
-    pytest \
-    pylint \
-    pandas \
-    shapely \
-    monty \
-    mpi4py \
-    pymatgen \
-    Jinja2 \
-    Mako \
-    tornado \
-    zmq \
-    notebook \
-    tk \
-    scikit-image \
-    # Jupyter lab packages
-    jupyterlab \
-    descartes \
-    ipympl \
-    RISE
-
-# jupyter lab extension
-# TODO: fix, right now it crashes with "nodejs required"
-#RUN jupyter-labextension install @jupyter-widgets/jupyterlab-manager jupyter-matplotlib @jupyterlab/toc
-#RUN jupyter-lab build
-
 ##################################################
 # TRIQS and its packages                         #
 ##################################################
 
 # set some compiler flags
-ENV CFLAGS="-m64 -O3 -Wl,--no-as-needed"
-ENV CXXFLAGS="-m64 -O3 -Wl,--no-as-needed"
-ENV LDFLAGS="-ldl -lm"
-ENV FFLAGS="-m64 -O3"
+ENV PYTHON_VERSION=3.10 CC=mpicc.mpich MPICH_CC=clang-${LLVM} CXX=mpicxx.mpich MPICH_CXX=clang++-${LLVM}
+ENV CXXFLAGS="-stdlib=libc++"
 
-# triqs
-RUN cd / && mkdir -p triqs && mkdir -p source
-
-RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \
-    && mkdir -p triqs.build && cd triqs.build \
-    && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs \
-       -DBLAS_LIBRARIES=/lib/x86_64-linux-gnu/libmkl_rt.so \
-       -DLIBCLANG_LOCATION=/usr/lib/llvm-13/lib/libclang.so \
-    && make -j2
-RUN cd /source/triqs.build && make -j2 test && make install
+ENV OMP_NUM_THREADS=1
+ENV MKL_NUM_THREADS=1
+ENV MKL_INTERFACE_LAYER=GNU,LP64
+ENV MKL_THREADING_LAYER=SEQUENTIAL
+ARG NCORES=10
 
-ENV CPATH=/triqs/include:${CPATH}
+ENV CPATH=/triqs/include:/usr/include/mkl:${CPATH}
 ENV PATH=/triqs/bin:${PATH}
 ENV LIBRARY_PATH=/triqs/lib:${LIBRARY_PATH}
 ENV LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH}
 ENV PYTHONPATH=/triqs/lib/python3.10/site-packages:${PYTHONPATH}
 ENV CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH}
+ENV CMAKE_BUILD_PARALLEL_LEVEL=${NCORES}
+ENV CTEST_OUTPUT_ON_FAILURE=1
+ENV CTEST_PARALLEL_LEVEL=${NCORES}
 ENV TRIQS_ROOT=/triqs
 
+##################################################
+# Wannier90 and VASP                             #
+##################################################
+
+# W90
+# Uncomment the lines in this and the following VASP block to have W90 as a library in VASP, allowing for the tag LWANNIER90=.TRUE.
+RUN cd / && git clone -b v3.1.0 --depth 1 https://github.com/wannier-developers/wannier90.git
+# Make gfort use the intel libraries
+COPY wannier90.make.inc /wannier90/make.inc
+RUN cd /wannier90 && make default lib && rm -r test-suite
+ENV PATH=/wannier90:${PATH}
+
+## TODO: include scalapack
+## Adds modified VASP for CSC calculations
+#ADD vasp.6.3.0.tgz /
+#RUN mv /vasp.6.3.0 /vasp
+#COPY mpich_vasp.makefile /vasp/makefile.include
+#COPY vasp_diffs /vasp/vasp_diffs
+#RUN cd /vasp/src \
+#    && for name in electron.F fileio.F locproj.F mlwf.F .objects; \
+#       do patch $name -p1 -i ../vasp_diffs/$name; done
+#
+## Install vasp
+## TODO: add ncl
+#RUN cd /vasp/ \
+#    && make std \
+#    && rm -rf src/ build/ arch/ vasp_diffs/ testsuite/
+#
+#ENV PATH=/vasp/bin:${PATH}
+
+FROM base AS pkgs
+
+# triqs
+RUN cd / && mkdir -p triqs && mkdir -p source
+
+RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \
+    && mkdir -p triqs.build && cd triqs.build \
+    && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs -DBLA_VENDOR=Intel10_64_dyn \
+    && make -j$NCORES && ctest -j$NCORES && make install
+
 # dft_tools
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/dft_tools.git dft_tools.src \
     && mkdir -p dft_tools.build && cd dft_tools.build \
     && cmake ../dft_tools.src -DCMAKE_INSTALL_PREFIX=/triqs \
-    && make -j2 && make -j2 test && make install
+    && make -j$NCORES && ctest -j$NCORES test && make install
 
 # cthyb
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/cthyb.git cthyb.src \
     && mkdir -p cthyb.build && cd cthyb.build \
     && cmake ../cthyb.src -DCMAKE_INSTALL_PREFIX=/triqs \
-    && make -j2 && make -j2 test && make install
+    && make -j$NCORES && make -j$NCORES test && make install
 
 # maxent
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/maxent.git maxent.src \
     && mkdir -p maxent.build && cd maxent.build \
     && cmake ../maxent.src -DCMAKE_INSTALL_PREFIX=/triqs \
-    && make -j2 && make -j2 test && make install
+    && make -j$NCORES && make -j$NCORES test && make install
 
 # ctint
 # ADD ctint-3.0.x.tar.gz /source/ctint.src
 # RUN cd /source && mkdir -p ctint.build && cd ctint.build \
 #     && cmake ../ctint.src -DCMAKE_INSTALL_PREFIX=/triqs \
-#     && make -j2 && make -j2 test && make install
+#     && make -j$NCORES && make -j$NCORES test && make install
 
 # hubbardI
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hubbardI hubbardI.src \
     && mkdir -p hubbardI.build && cd hubbardI.build \
     && cmake ../hubbardI.src -DCMAKE_INSTALL_PREFIX=/triqs \
-    && make -j2 && make -j2 test && make install
+    && make -j$NCORES && make -j$NCORES test && make install
+
+# hartree_fock
+RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hartree_fock.git hartree_fock.src \
+    && mkdir -p hartree_fock.build && cd hartree_fock.build \
+    && cmake ../hartree_fock.src -DCMAKE_INSTALL_PREFIX=/triqs \
+    && make -j$NCORES && ctest -j$NCORES && make install
 
 # solid_dmft
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/flatironinstitute/solid_dmft.git solid_dmft.src \
     && mkdir -p solid_dmft.build && cd solid_dmft.build \
     && cmake ../solid_dmft.src -DCMAKE_INSTALL_PREFIX=/triqs \
-    && make -j2 && make -j2 test && make install
-
-
-##################################################
-# Wannier90 and VASP                             #
-##################################################
-
-# W90
-# Uncomment the lines in this and the following VASP block to have W90 as a library in VASP, allowing for the tag LWANNIER90=.TRUE.
-RUN cd / && git clone -b v3.1.0 --depth 1 https://github.com/wannier-developers/wannier90.git
-# Make gfort use the intel libraries
-COPY wannier90.make.inc /wannier90/make.inc
-RUN cd /wannier90 && make default lib && rm -r test-suite
+    && make -j$NCORES && make -j$NCORES test && make install
 
-# TODO: include scalapack
-# Adds modified VASP for CSC calculations
-ADD vasp.6.3.0.tgz /
-RUN mv /vasp.6.3.0 /vasp
-COPY mpich_vasp.makefile /vasp/makefile.include
-COPY vasp_diffs /vasp/vasp_diffs
-RUN cd /vasp/src \
-    && for name in electron.F fileio.F locproj.F mlwf.F .objects; \
-       do patch $name -p1 -i ../vasp_diffs/$name; done
-
-# Install vasp
-# TODO: add ncl
-RUN cd /vasp/ \
-    && make std \
-    && rm -rf src/ build/ arch/ vasp_diffs/ testsuite/
-
-ENV PATH=/vasp/bin:/wannier90:${PATH}
 
 ##################################################
 # Cleanup                                        #
diff --git a/Docker/mpich_dockerfile_vasp5 b/Docker/mpich_dockerfile_vasp5
old mode 100755
new mode 100644
diff --git a/Docker/openmpi_dockerfile b/Docker/openmpi_dockerfile
index 2bc7f3b1..a4656079 100644
--- a/Docker/openmpi_dockerfile
+++ b/Docker/openmpi_dockerfile
@@ -1,63 +1,92 @@
-FROM ubuntu:22.04
+FROM ubuntu:22.04 AS base
 ARG LLVM=15
 
-# install basics
-RUN apt-get update &&  DEBIAN_FRONTEND=noninteractive apt-get install -y curl sudo wget git less rsync nano openssl ca-certificates make vim
-
-# for nodejs 20
-RUN curl -fsSL https://deb.nodesource.com/setup_20.x | sudo -E bash -
-
 # This platform includes dependencies for building docs
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+      build-essential \
+      ca-certificates \
+      clang-${LLVM} \
       cmake \
+      curl \
+      cython3 \
+      debhelper \
+      dh-python \
       g++ \
       gfortran \
-      llvm-${LLVM}-dev \
-      libclang-${LLVM}-dev \
-      clang-${LLVM} \
-      libc++-${LLVM}-dev \
-      libc++abi-${LLVM}-dev \
+      git \
       hdf5-tools \
-      libmkl-full-dev \ 
-      libopenblas-dev \
+      jupyter-notebook \
       libboost-dev \
+      libc++-${LLVM}-dev \
+      libc++abi-${LLVM}-dev \
+      libclang-${LLVM}-dev \
+      libevent-dev \
+      libfabric-dev \
       libfftw3-dev \
-      libnfft3-dev \
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
       libhwloc-dev \
-      libevent-dev \
-      libpmi2-0-dev \
-      cython3 \
-      # comment the next 4 lines if you want to build openmpi manually
+      libmkl-dev \
+      libnfft3-dev \
+      libomp-${LLVM}-dev \
+      libopenblas-dev \
       libopenmpi-dev \
+      libpmi2-0-dev \
+      libpython3-dev \
+      llvm-${LLVM}-dev \
       openmpi-bin \
       openmpi-common \
       openmpi-doc \
-      libfabric-dev \
-      libomp-${LLVM}-dev \
-      nodejs \
+      pandoc \
+      python-is-python3 \
+      python3-ase \
+      python3-clang-${LLVM} \
+      python3-decorator \
       python3-dev \
+      python3-jinja2 \
       python3-mako \
-      python3-numpy \
-      python3-scipy \
       python3-matplotlib \
-      python3-pip \
-      python3-sphinx \
-      python3-clang-${LLVM} \
-      python3-skimage \ 
+      python3-monty \
+      python3-mpi4py \
+      python3-myst-parser \
       python3-nbsphinx \
       python3-notebook \
-      libpython3-dev \
+      python3-numpy \
+      python3-pandas \
+      python3-pip \
+      python3-pymatgen \
+      python3-pytest \
+      python3-scipy \
+      python3-shapely \
+      python3-skimage \
+      python3-sphinx \
+      python3-sphinx-rtd-theme \
       && \
       apt-get autoremove --purge -y && \
       apt-get autoclean -y && \
       rm -rf /var/cache/apt/* /var/lib/apt/lists/*
-      
+
+# linkify-it-py (required by sphinx doc build) is not available in Ubuntu 22.04 as package
+# the following manually installs it and its only dependency uc-micro-py
+RUN mkdir -p /src && cd /src \
+ && curl -LOOO http://archive.ubuntu.com/ubuntu/pool/universe/u/uc-micro-py/uc-micro-py_1.0.1{-3.dsc,.orig.tar.xz,-3.debian.tar.xz} \
+ && dpkg-source -x uc-micro-py_1.0.1-3.dsc \
+ && cd uc-micro-py-1.0.1 \
+ && DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -b -d -uc -us \
+ && cd - \
+ && apt-get install ./python3-uc-micro_1.0.1-3_all.deb \
+ && curl -LOOO http://archive.ubuntu.com/ubuntu/pool/universe/l/linkify-it-py/linkify-it-py_2.0.0{-1.dsc,.orig.tar.gz,-1.debian.tar.xz} \
+ && dpkg-source -x linkify-it-py_2.0.0-1.dsc \
+ && cd linkify-it-py-2.0.0/ \
+ && DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -b -d -uc -us \
+ && cd - \
+ && apt-get install ./python3-linkify-it_2.0.0-1_all.deb \
+ && cd / && rm -rf /src
+
 # install openmpi and compile openmpi manually
 # this is to ensure PMI compatibility with cray systems
-# RUN wget -q https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.5.tar.gz \
+# RUN curl -LO https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.5.tar.gz \
 #     && tar xf openmpi-4.1.5.tar.gz \
 #     && cd openmpi-4.1.5 \
 #     && ./configure --prefix=/usr --enable-mpi-cxx --with-libfabric=/usr \
@@ -71,35 +100,6 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
 #     && cd .. \
 #     && rm -rf openmpi-4.1.5.tar.gz openmpi-4.1.5
 
-RUN pip3 install --no-cache-dir \
-    mpi4py \
-    cython \
-    decorator \
-    jupyter \
-    ipywidgets \
-    pytest \
-    pandas \
-    shapely \
-    monty \
-    mpi4py \
-    pymatgen \
-    ase \ 
-    Jinja2 \
-    Mako \
-    tornado \
-    zmq \
-    notebook \
-    tk \
-    myst_parser \ 
-    sphinx_rtd_theme  \
-    linkify-it-py \ 
-    Pandoc \
-    # Jupyter lab packages
-    jupyterlab \
-    descartes \
-    ipympl \
-    RISE 
-
 ENV PYTHON_VERSION=3.10 \
     CC=clang-${LLVM} CXX=clang++-${LLVM} CXXFLAGS="-stdlib=libc++"
 RUN update-alternatives --install /usr/bin/clang clang /usr/bin/clang-${LLVM} 60 --slave /usr/bin/clang++ clang++ /usr/bin/clang++-${LLVM} --slave /usr/bin/clang-cpp clang-cpp /usr/bin/clang-cpp-${LLVM}
@@ -108,15 +108,19 @@ ENV OMP_NUM_THREADS=1
 ENV MKL_NUM_THREADS=1
 ENV MKL_INTERFACE_LAYER=GNU,LP64
 ENV MKL_THREADING_LAYER=SEQUENTIAL
-ARG NCORES=10
+ENV OMPI_ALLOW_RUN_AS_ROOT=1
+ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
+ENV OMPI_MCA_rmaps_base_oversubscribe="yes"
+ENV OMPI_MCA_btl_vader_single_copy_mechanism=none
+ARG NCORES=20
 
 # create source dirs
 RUN cd / && mkdir -p triqs && mkdir -p source
 
 # W90
-RUN cd /source && git clone -b develop --depth 1 https://github.com/wannier-developers/wannier90.git wannier90 \
-    && cd wannier90 \
-    # Using gfortran compiler 
+RUN cd /source && curl -Lo wannier90.tar.gz https://github.com/wannier-developers/wannier90/archive/d141f9f.tar.gz \
+    && tar xf wannier90.tar.gz --xform='s/-d141f9f84dcd3ac54729b9e5874dabd451684237//g' && cd wannier90 \
+    # Using gfortran compiler
     && echo "F90 = mpif90 \n COMMS  = mpi \n MPIF90 = mpif90 \n FCOPTS = -O3 -fallow-argument-mismatch \n LIBS = -Wl,--no-as-needed -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl \n" > make.inc \
     && cd /source/wannier90 \
     && make PREFIX=/triqs wannier lib post w90chk2chk \
@@ -125,7 +129,7 @@ RUN cd /source && git clone -b develop --depth 1 https://github.com/wannier-deve
     && cp src/obj/* /triqs/include/
 
 # install qe
-RUN cd /source && wget --quiet https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-qe-7.2.tar.gz \
+RUN cd /source && curl -LO https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-qe-7.2.tar.gz \
    && tar -xf q-e-qe-7.2.tar.gz \
    && cd q-e-qe-7.2 \
    && mkdir -p build && cd build \
@@ -139,7 +143,7 @@ RUN cd /source && wget --quiet https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-q
         -D QE_WANNIER90_INTERNAL=OFF \
         -D WANNIER90_ROOT=/triqs \
         ../ \
-    && make -j$NCORES all \ 
+    && make -j$NCORES all \
     && make install
 
 # VASP for CSC calculations
@@ -158,30 +162,37 @@ RUN cd /source && wget --quiet https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-q
 
 #ENV PATH=/vasp/bin:${PATH}
 
+# the above is cached by the github action workflow
+FROM base AS pkgs
+
 # triqs
-ENV CPATH=/triqs/include:${CPATH} \
+ENV CPATH=/triqs/include:/usr/include/mkl:${CPATH} \
     PATH=/triqs/bin:${PATH} \
     LIBRARY_PATH=/triqs/lib:${LIBRARY_PATH} \
     LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
     PYTHONPATH=/triqs/lib/python3.10/site-packages:${PYTHONPATH} \
     CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
+    CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
+    CTEST_OUTPUT_ON_FAILURE=1 \
+    CTEST_PARALLEL_LEVEL=${NCORES} \
+    BLA_VENDOR=Intel10_64_dyn \
     TRIQS_ROOT=/triqs
 
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \
     && mkdir -p triqs.build && cd triqs.build \
-    && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs -DMPIEXEC_PREFLAGS='--allow-run-as-root' -DBLA_VENDOR=Intel10_64_dyn \
+    && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # dft_tools
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/dft_tools.git dft_tools.src \
     && mkdir -p dft_tools.build && cd dft_tools.build \
-    && cmake ../dft_tools.src -DMPIEXEC_PREFLAGS='--allow-run-as-root' \
+    && cmake ../dft_tools.src \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # cthyb
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/cthyb.git cthyb.src \
     && mkdir -p cthyb.build && cd cthyb.build \
-    && cmake ../cthyb.src -DMPIEXEC_PREFLAGS='--allow-run-as-root'  \
+    && cmake ../cthyb.src \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # maxent
@@ -193,13 +204,13 @@ RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/maxen
 # TPRF
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/tprf.git tprf.src \
     && mkdir -p tprf.build && cd tprf.build \
-    && cmake ../tprf.src -DMPIEXEC_PREFLAGS='--allow-run-as-root'  \
+    && cmake ../tprf.src  \
     && make -j$NCORES && make test && make install
 
 # hubbardI
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hubbardI.git hubbardI.src \
     && mkdir -p hubbardI.build && cd hubbardI.build \
-    && cmake ../hubbardI.src \ 
+    && cmake ../hubbardI.src \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # hartree_fock
@@ -211,7 +222,7 @@ RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hartr
 # download solid_dmft and install
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/flatironinstitute/solid_dmft.git solid_dmft.src \
     && mkdir -p solid_dmft.build && cd solid_dmft.build \
-    && cmake ../solid_dmft.src -DMPIEXEC_PREFLAGS='--allow-run-as-root' \
+    && cmake ../solid_dmft.src \
     && make test && make install
 
 # remove source
@@ -219,10 +230,6 @@ RUN cd / && rm -rf source
 
 # create a useful work dir
 RUN cd / && mkdir work && cd work
-ENV OMPI_MCA_btl_vader_single_copy_mechanism=none
-
-# make python3 default
-RUN `ln -s /usr/bin/python3 /usr/bin/python`
 
 # expose port for jupyter
 EXPOSE 8378
@@ -236,4 +243,3 @@ RUN ["chmod", "+x", "/usr/local/bin/jupyter.sh"]
 # change user and group id to match host machine if options are passed accordingly
 ENTRYPOINT ["/usr/local/bin/entrypoint.sh"]
 
-
diff --git a/Docker/triqs_default_dockerfile b/Docker/triqs_default_dockerfile
deleted file mode 100644
index fb7c6045..00000000
--- a/Docker/triqs_default_dockerfile
+++ /dev/null
@@ -1,16 +0,0 @@
-# See ../triqs/packaging for other options
-FROM flatironinstitute/triqs:unstable-ubuntu-clang
-ARG APPNAME=solid_dmft
-
-COPY requirements.txt /src/$APPNAME/requirements.txt
-RUN pip3 install -r /src/$APPNAME/requirements.txt
-
-COPY --chown=build . $SRC/$APPNAME
-WORKDIR $BUILD/$APPNAME
-RUN chown build .
-USER build
-ARG BUILD_ID
-ARG CMAKE_ARGS
-RUN cmake $SRC/$APPNAME -DTRIQS_ROOT=${INSTALL} $CMAKE_ARGS && make -j4 || make -j1 VERBOSE=1
-USER root
-RUN make install