diff --git a/docker/jupyterlab/README.md b/docker/jupyterlab/README.md
new file mode 100644
index 0000000..b31e878
--- /dev/null
+++ b/docker/jupyterlab/README.md
@@ -0,0 +1,4 @@
+# Content
+
+Container recipes derived from the Jupyter Docker Stacks at https://jupyter-docker-stacks.readthedocs.io
+
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/Dockerfile b/docker/jupyterlab/jupyterlab-SurfaceTopography/Dockerfile
new file mode 100644
index 0000000..50ecdfd
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/Dockerfile
@@ -0,0 +1,63 @@
+# Build from within repository root 
+#
+# Modify conda enviornment running jupyter notebooks
+FROM jupyter/minimal-notebook:latest
+
+USER root
+
+COPY --chown=${NB_UID}:${NB_GID} jupyterlab-SurfaceTopography/conda-requirements.in "/home/${NB_USER}/"
+RUN pip install pip-tools
+RUN pip-compile "/home/${NB_USER}/conda-requirements.in" > "/home/${NB_USER}/conda-requirements.txt"
+RUN pip install --quiet --no-cache-dir --requirement "/home/${NB_USER}/conda-requirements.txt" && \
+    fix-permissions "${CONDA_DIR}" && \
+    fix-permissions "/home/${NB_USER}"
+
+# FROM imkteksim/dtool-jupyter:latest
+# Install from requirements.txt file
+RUN apt-get --yes update && \
+    apt-get --yes install \
+        clang cmake curl g++ gdb git m4 wget \
+        libboost-test-dev \ 
+        libcurl4-openssl-dev \
+        libeigen3-dev \
+        libfftw3-dev \
+        libgmp-dev \
+        libnetcdf-dev \
+        libopenblas-base \
+        libopenblas-dev \
+        python3-pip \
+        python3-dev \
+        python3-netcdf4 && \
+    apt-get clean && \
+    rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Workaround for building packages and introducing an ipykernel outside of the jupyterlab conda environment
+RUN PATH=$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g') && ( \
+        pip install --no-binary numpy SurfaceTopography && \
+        pip install ipykernel && \
+        python3 -m ipykernel install --name SurfaceTopography --display-name "Python (SurfaceTopography)") && \
+    fix-permissions "${CONDA_DIR}" && \
+    fix-permissions "/home/${NB_USER}"
+
+# Workaround for modifying system python outside of the jupyterlab conda environment
+COPY --chown=${NB_UID}:${NB_GID} jupyterlab-SurfaceTopography/requirements.txt "/home/${NB_USER}/"
+RUN PATH="$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g')" && ( \
+        pip install --quiet --no-cache-dir --requirement "/home/${NB_USER}/requirements.txt" )
+
+COPY jupyterlab-SurfaceTopography/start-wrapper.sh /usr/local/bin/
+
+# Custom fonts config
+COPY jupyterlab-SurfaceTopography/etc/fonts.conf /etc/fonts/conf.avail/99-injected.conf
+RUN ln -s /etc/fonts/conf.avail/99-injected.conf /etc/fonts/conf.d/99-injected.conf
+RUN mkdir -p /fonts
+
+# Install from requirements.txt file
+RUN apt-get --yes update && \
+    apt-get --yes install fontconfig && \
+    apt-get clean && \
+    rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+WORKDIR /home/${NB_USER}/work
+USER ${NB_UID}
+
+CMD ["start-wrapper.sh", "start-notebook.sh"]
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/README.md b/docker/jupyterlab/jupyterlab-SurfaceTopography/README.md
new file mode 100644
index 0000000..7af3aff
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/README.md
@@ -0,0 +1,161 @@
+# Sample setup jupyterlab-SurfaceTopography
+
+## Changes to the container
+
+This docker image bases on the [Jupyter Docker Stacks](https://jupyter-docker-stacks.readthedocs.io/en/latest/).
+These base images use condato run a JupyterLab instance. Extensions to the Jupyter ecosystem (i.e. `jupytext`) 
+must hence go into the `conda-requirements.in` file. 
+
+`SurfaceTopography` does not work well within a conda environment. Instead, this image introduces a separate 
+ipython kernel `SurfaceTopography` that just uses the container-internal system Python and a few system libraries,
+i.e. `numpy`. Anything needed for production in connection with `SurfaceTopography` goes in `requirements.in` or
+into `requirements.txt` directly. When modifying `requirements.in`, regenerate `requirments.txt`with pinned versions
+as described below.
+
+If in need to quickly modify the `SurfaceTopography` kernel environment at runtime, pay attention to
+breaking out of the default conda enviornment in the shell
+
+* `conda deactivate`, and
+* removing any conda-related artifacts from the `$PATH`, i.e. with `export PATH=$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g')`
+
+The latter is necessary to avoid conda compiler interfering with custom build steps when compiling against system libraries.
+
+## Python requirements
+
+To (re-)generate a `requirements.txt` with fixed package versions, use
+
+```console
+python3 -m venv venv
+source venv/bin/activate
+
+pip install --upgrade pip
+pip install wheel
+pip install pip-tools
+
+pip-compile requirements.in > requirements.txt
+```
+
+## Build container
+
+Build container from parent directory (`docker/jupyterlab`) with
+
+    docker build -t imteksim/jupyterlab-surfacetopography -f jupyterlab-SurfaceTopography/Dockerfile .
+
+or write directly to tar for transfer with
+
+    docker build --output type=tar,dest=imteksim-jupyterlab-SurfaceTopography.tar -t imteksim/jupyterlab-surfacetopography -f jupyterlab-SurfaceTopography/Dockerfile .
+
+and load at target destination with
+
+    docker load --input imteksim-jupyterlab-SurfaceTopography.tar
+
+## Certificates with acme.sh
+
+Identify the public hostname used for issuing SSL certificates, i.e.
+
+    export HOSTNAME="SOME-UUID.fr.bw-cloud-instance.org"
+
+for a public bw-cloud instance and a seecure directory to hold certificates, i.e.
+
+    export CERTDIR=${HOME}/acme.sh
+
+and use
+
+    mkdir -p acme.sh
+
+    # zerossl
+    docker run -v "${CERTDIR}:/acme.sh" --rm neilpang/acme.sh:latest \
+      acme.sh --register-account -m ${MY_EMAIL_ADDRESS}
+    docker run -v "${CERTDIR}:/acme.sh" -p 80:80 --rm neilpang/acme.sh:latest \
+      acme.sh --issue -d "${HOSTNAME}" --standalone --force
+
+    # or, letsencrypt
+    docker run -v "${CERTDIR}:/acme.sh" --rm neilpang/acme.sh:latest \
+      acme.sh --server letsencrypt --register-account -m ${MY_EMAIL_ADDRESS}
+    docker run -v "${CERTDIR}:/acme.sh" -p 80:80 --rm neilpang/acme.sh:latest \
+      acme.sh --server letsencrypt --issue -d "${HOSTNAME}" --standalone --force
+
+    sudo chown -R $USER:$USER $HOME/acme.sh
+
+to (re-)issue certiicates.
+
+## Fonts
+
+Microsoft fonts can be installed with
+
+    sudo apt-get install -y fontconfig
+    sudo apt-get install -y ttf-mscorefonts-installer
+    sudo fc-cache -f
+
+Check with
+
+    $ fc-match Arial
+    LiberationSans-Regular.ttf: "Liberation Sans" "Regular"
+
+Find location of installed fonts with
+
+    $ dpkg-query -L ttf-mscorefonts-installer
+    /.
+    /usr
+    /usr/lib
+    /usr/lib/msttcorefonts
+    /usr/lib/msttcorefonts/update-ms-fonts
+    /usr/share
+    /usr/share/doc
+    /usr/share/doc/ttf-mscorefonts-installer
+    /usr/share/doc/ttf-mscorefonts-installer/README.Debian
+    /usr/share/doc/ttf-mscorefonts-installer/changelog.gz
+    /usr/share/doc/ttf-mscorefonts-installer/copyright
+    /usr/share/fonts
+    /usr/share/fonts/truetype
+    /usr/share/lintian
+    /usr/share/lintian/overrides
+    /usr/share/lintian/overrides/ttf-mscorefonts-installer
+    /usr/share/package-data-downloads
+    /usr/share/package-data-downloads/ttf-mscorefonts-installer
+    /var
+    /var/lib
+    /var/lib/msttcorefonts
+
+## Run Jupyter Lab
+
+Identify a persistent workspace directory, i.e.
+    
+    export WORKDIR=${HOME}/work
+
+and, optionally, a directory of additional fonts to make available to matplotlib, i.e. as above
+
+    export FONTDIR=/usr/share/fonts/truetype/msttcorefonts
+
+Run public Jupyter Lab on default https port with fixed password
+
+    docker run -d --rm -p 443:443 \
+        -v ${WORKDIR}:/home/jovyan/work \
+        -v ${FONTDIR}:/fonts \
+        -v ${CERTDIR}/${HOSTNAME}:/etc/ssl/notebook \
+        imteksim/jupyterlab-surfacetopography \
+        start-notebook.sh \
+        --ServerApp.keyfile=/etc/ssl/notebook/${HOSTNAME}.key \
+        --ServerApp.certfile=/etc/ssl/notebook/${HOSTNAME}.cer \
+        --ServerApp.password='argon2:$argon2id$v=19$m=10240,t=10,p=8$Jg1gFoiE0ybmBCVG+1s6uA$Jxz4/1591Z7so7JK2M1lRA' \
+        --ServerApp.ip='*' \
+        --ServerApp.port=443
+
+Note that the hash of the password is passed.
+
+    argon2:$argon2id$v=19$m=10240,t=10,p=8$Jg1gFoiE0ybmBCVG+1s6uA$Jxz4/1591Z7so7JK2M1lRA
+
+corresponds to password `imtek-simulation` and has been generated with
+
+    from notebook.auth import passwd
+    passwd()
+
+Add
+
+    --user root -e GRANT_SUDO=yes -e NB_GID=100 -e NB_USER=jovyan
+
+to the docker command line arguments if you need passwordless `sudo` within the container.
+
+## Access Jupyter Lab web interface
+
+Make sure `https` port 443 is reachable, navigate browser to `https://${HOSTNAME}` and log in with password specified on Jupyter Lab launch.
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/conda-requirements.in b/docker/jupyterlab/jupyterlab-SurfaceTopography/conda-requirements.in
new file mode 100644
index 0000000..b8384fb
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/conda-requirements.in
@@ -0,0 +1,2 @@
+jupyterlab_autorun_cells
+jupytext
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/etc/fonts.conf b/docker/jupyterlab/jupyterlab-SurfaceTopography/etc/fonts.conf
new file mode 100644
index 0000000..0a2f35e
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/etc/fonts.conf
@@ -0,0 +1,6 @@
+<?xml version="1.0"?>
+<!DOCTYPE fontconfig SYSTEM "fonts.dtd">
+<!-- ~/.fonts.conf for per-user font configuration -->
+<fontconfig>
+<dir>/fonts</dir>
+</fontconfig>
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.in b/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.in
new file mode 100644
index 0000000..33cc704
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.in
@@ -0,0 +1,36 @@
+click
+pep517
+tomli
+adhesion
+ase
+asgiref
+contactmechanics
+cycler
+dtool
+dtool_lookup_api
+dtoolcore
+dtool-s3
+gromacs
+GromacsWrapper
+imteksimfw
+ipython
+ipywidgets
+Jinja2
+matplotlib
+MDAnalysis
+miniball
+nglview
+numpy
+openpyxl
+ovito<=3.6.0
+pandas
+panedr
+ParmEd
+pymongo
+pytest
+PySide2
+PyYAML
+scipy
+scikit-learn
+seaborn
+git+https://github.com/IMTEK-Simulation/code-snippets.git
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.txt b/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.txt
new file mode 100644
index 0000000..d87e00b
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/requirements.txt
@@ -0,0 +1,503 @@
+#
+# This file is autogenerated by pip-compile with python 3.8
+# To update, run:
+#
+#    pip-compile requirements.in
+#
+adhesion==0.90.0
+    # via -r requirements.in
+aiohttp==3.8.3
+    # via dtool-lookup-api
+aiosignal==1.3.1
+    # via aiohttp
+arrow==1.2.3
+    # via jinja2-time
+ase==3.22.1
+    # via -r requirements.in
+asgiref==3.5.2
+    # via
+    #   -r requirements.in
+    #   dtool-lookup-api
+asttokens==2.1.0
+    # via stack-data
+async-timeout==4.0.2
+    # via aiohttp
+attrs==22.1.0
+    # via
+    #   aiohttp
+    #   pytest
+backcall==0.2.0
+    # via ipython
+bcrypt==4.0.1
+    # via paramiko
+biopython==1.79
+    # via mdanalysis
+boto3==1.26.5
+    # via dtool-s3
+botocore==1.29.5
+    # via
+    #   boto3
+    #   s3transfer
+certifi==2022.9.24
+    # via requests
+cffi==1.15.1
+    # via
+    #   cryptography
+    #   pynacl
+charset-normalizer==2.1.1
+    # via
+    #   aiohttp
+    #   requests
+click==8.1.3
+    # via
+    #   -r requirements.in
+    #   click-plugins
+    #   dtool-annotation
+    #   dtool-cli
+    #   dtool-config
+    #   dtool-create
+    #   dtool-info
+    #   dtool-overlay
+    #   dtool-s3
+    #   dtool-tag
+    #   flask
+click-plugins==1.1.1
+    # via dtool-cli
+contactmechanics==1.0.0
+    # via
+    #   -r requirements.in
+    #   adhesion
+contourpy==1.0.6
+    # via matplotlib
+cryptography==38.0.3
+    # via paramiko
+cycler==0.11.0
+    # via
+    #   -r requirements.in
+    #   matplotlib
+debugpy==1.6.3
+    # via ipykernel
+decorator==5.1.1
+    # via ipython
+defusedxml==0.7.1
+    # via surfacetopography
+dill==0.3.6
+    # via imteksimfw
+dnspython==2.2.1
+    # via pymongo
+dtool==3.26.2
+    # via -r requirements.in
+dtool-annotation==0.1.1
+    # via dtool
+dtool-cli==0.7.1
+    # via
+    #   dtool
+    #   dtool-annotation
+    #   dtool-create
+    #   dtool-info
+    #   dtool-overlay
+    #   dtool-s3
+    #   dtool-tag
+dtool-config==0.4.1
+    # via dtool
+dtool-create==0.23.4
+    # via
+    #   dtool
+    #   imteksimfw
+dtool-http==0.5.1
+    # via
+    #   dtool
+    #   dtool-create
+dtool-info==0.16.2
+    # via dtool
+dtool-lookup-api==0.5.1
+    # via
+    #   -r requirements.in
+    #   imteksimfw
+dtool-overlay==0.3.1
+    # via dtool
+dtool-s3==0.14.1
+    # via -r requirements.in
+dtool-symlink==0.3.1
+    # via
+    #   dtool
+    #   dtool-create
+dtool-tag==0.1.1
+    # via dtool
+dtoolcore==3.18.2
+    # via
+    #   -r requirements.in
+    #   dtool
+    #   dtool-annotation
+    #   dtool-cli
+    #   dtool-config
+    #   dtool-create
+    #   dtool-http
+    #   dtool-info
+    #   dtool-lookup-api
+    #   dtool-overlay
+    #   dtool-s3
+    #   dtool-symlink
+    #   dtool-tag
+entrypoints==0.4
+    # via jupyter-client
+et-xmlfile==1.1.0
+    # via openpyxl
+exceptiongroup==1.0.1
+    # via pytest
+executing==1.2.0
+    # via stack-data
+fasteners==0.18
+    # via mdanalysis
+fireworks==2.0.3
+    # via imteksimfw
+flask==2.2.2
+    # via
+    #   fireworks
+    #   flask-paginate
+flask-paginate==2022.1.8
+    # via fireworks
+fonttools==4.38.0
+    # via matplotlib
+frozenlist==1.3.3
+    # via
+    #   aiohttp
+    #   aiosignal
+griddataformats==1.0.1
+    # via mdanalysis
+gromacs==0.0.0
+    # via -r requirements.in
+gromacswrapper==0.8.2
+    # via -r requirements.in
+gsd==2.6.1
+    # via mdanalysis
+gunicorn==20.1.0
+    # via fireworks
+h5py==3.7.0
+    # via surfacetopography
+idna==3.4
+    # via
+    #   requests
+    #   yarl
+igor==0.3
+    # via surfacetopography
+importlib-metadata==5.0.0
+    # via flask
+imteksimcs @ git+https://github.com/IMTEK-Simulation/code-snippets.git
+    # via -r requirements.in
+imteksimfw==0.5.1
+    # via -r requirements.in
+iniconfig==1.1.1
+    # via pytest
+ipykernel==6.17.0
+    # via ipywidgets
+ipython==8.6.0
+    # via
+    #   -r requirements.in
+    #   ipykernel
+    #   ipywidgets
+ipywidgets==8.0.2
+    # via
+    #   -r requirements.in
+    #   nglview
+itsdangerous==2.1.2
+    # via flask
+jedi==0.18.1
+    # via ipython
+jinja2==3.1.2
+    # via
+    #   -r requirements.in
+    #   dtool-info
+    #   fireworks
+    #   flask
+    #   imteksimfw
+    #   jinja2-time
+jinja2-time==0.2.0
+    # via imteksimfw
+jmespath==1.0.1
+    # via
+    #   boto3
+    #   botocore
+joblib==1.2.0
+    # via
+    #   mdanalysis
+    #   scikit-learn
+jupyter-client==7.4.4
+    # via ipykernel
+jupyter-core==5.0.0
+    # via jupyter-client
+jupyterlab-widgets==3.0.3
+    # via
+    #   ipywidgets
+    #   nglview
+kiwisolver==1.4.4
+    # via matplotlib
+markupsafe==2.1.1
+    # via
+    #   jinja2
+    #   werkzeug
+matplotlib==3.6.2
+    # via
+    #   -r requirements.in
+    #   ase
+    #   gromacswrapper
+    #   mdanalysis
+    #   seaborn
+    #   surfacetopography
+matplotlib-inline==0.1.6
+    # via
+    #   ipykernel
+    #   ipython
+mdanalysis==2.3.0
+    # via -r requirements.in
+miniball==1.1.0
+    # via -r requirements.in
+mmtf-python==1.1.3
+    # via mdanalysis
+monty==2022.9.9
+    # via
+    #   fireworks
+    #   imteksimfw
+mrcfile==1.4.3
+    # via griddataformats
+msgpack==1.0.4
+    # via mmtf-python
+mufft==0.23.1
+    # via
+    #   adhesion
+    #   contactmechanics
+    #   surfacetopography
+multidict==6.0.2
+    # via
+    #   aiohttp
+    #   yarl
+nest-asyncio==1.5.6
+    # via
+    #   ipykernel
+    #   jupyter-client
+networkx==2.8.8
+    # via mdanalysis
+nglview==3.0.3
+    # via -r requirements.in
+numkit==1.2.2
+    # via gromacswrapper
+numpi==0.3.1
+    # via
+    #   adhesion
+    #   contactmechanics
+    #   surfacetopography
+numpy==1.23.4
+    # via
+    #   -r requirements.in
+    #   adhesion
+    #   ase
+    #   biopython
+    #   contactmechanics
+    #   contourpy
+    #   griddataformats
+    #   gromacswrapper
+    #   gsd
+    #   h5py
+    #   imteksimcs
+    #   matplotlib
+    #   mdanalysis
+    #   miniball
+    #   mrcfile
+    #   mufft
+    #   nglview
+    #   numkit
+    #   numpi
+    #   numpyencoder
+    #   ovito
+    #   pandas
+    #   pyedr
+    #   scikit-learn
+    #   scipy
+    #   seaborn
+    #   surfacetopography
+numpyencoder==0.3.0
+    # via surfacetopography
+openpyxl==3.0.10
+    # via -r requirements.in
+ovito==3.6.0
+    # via -r requirements.in
+packaging==21.3
+    # via
+    #   dtool-s3
+    #   ipykernel
+    #   matplotlib
+    #   mdanalysis
+    #   pytest
+pandas==1.5.1
+    # via
+    #   -r requirements.in
+    #   imteksimcs
+    #   panedr
+    #   seaborn
+panedr==0.7.0
+    # via -r requirements.in
+paramiko==2.12.0
+    # via imteksimfw
+parmed==3.4.3
+    # via -r requirements.in
+parse==1.19.0
+    # via dtool-overlay
+parso==0.8.3
+    # via jedi
+pbr==5.11.0
+    # via
+    #   panedr
+    #   pyedr
+pep517==0.13.0
+    # via -r requirements.in
+pexpect==4.8.0
+    # via ipython
+pickleshare==0.7.5
+    # via ipython
+pillow==9.3.0
+    # via
+    #   matplotlib
+    #   surfacetopography
+platformdirs==2.5.3
+    # via jupyter-core
+pluggy==1.0.0
+    # via pytest
+prompt-toolkit==3.0.32
+    # via ipython
+psutil==5.9.4
+    # via ipykernel
+ptyprocess==0.7.0
+    # via pexpect
+pure-eval==0.2.2
+    # via stack-data
+pycparser==2.21
+    # via cffi
+pyedr==0.7.0
+    # via panedr
+pygments==2.13.0
+    # via
+    #   dtool-info
+    #   ipython
+pymongo==4.3.2
+    # via
+    #   -r requirements.in
+    #   fireworks
+pynacl==1.5.0
+    # via paramiko
+pyparsing==3.0.9
+    # via
+    #   matplotlib
+    #   packaging
+pyside2==5.15.2.1
+    # via
+    #   -r requirements.in
+    #   ovito
+pytest==7.2.0
+    # via -r requirements.in
+python-dateutil==2.8.2
+    # via
+    #   arrow
+    #   botocore
+    #   fireworks
+    #   jupyter-client
+    #   matplotlib
+    #   pandas
+    #   surfacetopography
+pytz==2022.6
+    # via pandas
+pyyaml==6.0
+    # via
+    #   -r requirements.in
+    #   dtool-lookup-api
+    #   surfacetopography
+pyzmq==24.0.1
+    # via
+    #   ipykernel
+    #   jupyter-client
+requests==2.28.1
+    # via
+    #   dtool-http
+    #   surfacetopography
+ruamel-yaml==0.17.21
+    # via
+    #   dtool-create
+    #   fireworks
+    #   imteksimfw
+ruamel-yaml-clib==0.2.7
+    # via ruamel-yaml
+s3transfer==0.6.0
+    # via boto3
+scikit-learn==1.1.3
+    # via -r requirements.in
+scipy==1.9.3
+    # via
+    #   -r requirements.in
+    #   ase
+    #   griddataformats
+    #   imteksimcs
+    #   mdanalysis
+    #   numkit
+    #   scikit-learn
+seaborn==0.12.1
+    # via -r requirements.in
+shiboken2==5.15.2.1
+    # via pyside2
+six==1.16.0
+    # via
+    #   asttokens
+    #   fireworks
+    #   gromacswrapper
+    #   imteksimfw
+    #   numkit
+    #   paramiko
+    #   python-dateutil
+stack-data==0.6.0
+    # via ipython
+surfacetopography==1.1
+    # via
+    #   adhesion
+    #   contactmechanics
+tabulate==0.9.0
+    # via fireworks
+threadpoolctl==3.1.0
+    # via
+    #   mdanalysis
+    #   scikit-learn
+tomli==2.0.1
+    # via
+    #   -r requirements.in
+    #   pep517
+    #   pytest
+tornado==6.2
+    # via
+    #   ipykernel
+    #   jupyter-client
+tqdm==4.64.1
+    # via
+    #   fireworks
+    #   mdanalysis
+traitlets==5.5.0
+    # via
+    #   ipykernel
+    #   ipython
+    #   ipywidgets
+    #   jupyter-client
+    #   jupyter-core
+    #   matplotlib-inline
+urllib3==1.26.12
+    # via
+    #   botocore
+    #   requests
+wcwidth==0.2.5
+    # via prompt-toolkit
+werkzeug==2.2.2
+    # via flask
+widgetsnbextension==4.0.3
+    # via ipywidgets
+yarl==1.8.1
+    # via aiohttp
+zipp==3.10.0
+    # via importlib-metadata
+
+# The following packages are considered to be unsafe in a requirements file:
+# setuptools
diff --git a/docker/jupyterlab/jupyterlab-SurfaceTopography/start-wrapper.sh b/docker/jupyterlab/jupyterlab-SurfaceTopography/start-wrapper.sh
new file mode 100755
index 0000000..67c2320
--- /dev/null
+++ b/docker/jupyterlab/jupyterlab-SurfaceTopography/start-wrapper.sh
@@ -0,0 +1,18 @@
+#!/bin/bash
+set -e
+
+# delete and rebuild matplotlib font cache
+# rm -rf /home/${NB_USER}/.cache/matplotlib
+fc-cache --force
+PATH=$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g') python3 -c 'import matplotlib.font_manager; matplotlib.font_manager._load_fontmanager(try_read_cache=False)'
+
+echo
+echo "matplotlib cache dir:"
+echo
+PATH=$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g') python3 -c "import matplotlib; print(matplotlib.get_cachedir())"
+echo
+echo "matplotlib fonts:"
+echo
+PATH=$(echo "$PATH" | sed -e 's|/opt/conda[^:]*:||g') python3 -c "import matplotlib.font_manager ; [print(f) for f in matplotlib.font_manager.findSystemFonts(fontpaths=None)]"
+echo
+exec "$@"