diff --git a/HPC_setup/mlt_modules_juwels.sh b/HPC_setup/mlt_modules_juwels.sh
index ffacfe6fc45302dfa60b108ca2493d9a27408df1..e72c0f63141bad4bab442e18b93d9fbb37adb287 100755
--- a/HPC_setup/mlt_modules_juwels.sh
+++ b/HPC_setup/mlt_modules_juwels.sh
@@ -11,7 +11,7 @@ module use $OTHERSTAGES
 ml Stages/2020
 ml GCCcore/.10.3.0
 
-ml Jupyter/2021.3.1-Python-3.8.5
+# ml Jupyter/2021.3.1-Python-3.8.5
 ml Python/3.8.5
 ml TensorFlow/2.5.0-Python-3.8.5
 ml SciPy-Stack/2021-Python-3.8.5
diff --git a/requirements.txt b/requirements.txt
index 701b7cb99577bda777058211e966ae1618b8754c..6da10111d77504efb5d17359df4502e748f1aa39 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,263 +1,96 @@
-## this is basically the "pip list --format=freeze" output from a fully loaded venv_juwels ##
-
 absl-py==0.12.0
-aiohttp==3.6.2
-alabaster==0.7.12
+aiohttp==3.7.4
 alembic==1.4.2
-altair==3.3.0
-ansi2html==1.5.2
-ansiwrap==0.8.4
-anyio==3.2.1
 apipkg==1.5
 appdirs==1.4.4
-appmode==0.6.0
 argcomplete==1.12.0
-argon2-cffi==20.1.0
-arviz==0.10.0
 asn1crypto==1.3.0
 astor==0.8.1
-astroid==2.4.2
 astropy==4.1
 astunparse==1.6.3
-async-generator==1.10
-async-timeout==3.0.1
 atomicwrites==1.4.0
 attrs==19.3.0
-autobahn==19.10.1
-Automat==0.8.0
-autopep8==1.4.4
-Babel==2.7.0
 backcall==0.2.0
 backports.shutil-get-terminal-size==1.0.0
-backports.tempfile==1.0
-backports.weakref==1.0.post1
 bcrypt==3.1.7
 bitstring==3.1.7
-black==19.3b0
-bleach==3.3.0
 blist==1.3.6
-bokeh==2.3.2
 Bottleneck==1.3.2
-bqplot==0.12.26
-CacheControl==0.12.6
 cached-property==1.5.2
 cachetools==4.2.2
-cachy==0.3.0
 certifi==2020.6.20
-certipy==0.1.3
 cffi==1.14.1
-cftime==1.2.1
+cftime==1.4.1
 chardet==3.0.4
-cleo==0.8.1
 click==7.1.2
-clikit==0.6.2
-cloudpickle==1.6.0
+cloudpickle==1.5.0
 ClusterShell==1.8.3
-colorama==0.4.1
-colorcet==2.0.2
-commonmark==0.9.1
 configparser==5.0.0
-constantly==15.1.0
 coverage==5.1
-crashtest==0.3.1
 cryptography==3.0
-cssselect==1.1.0
 cycler==0.10.0
 Cython==0.29.21
-dash==1.16.0
-dash-bio==0.4.8
-dash-bootstrap-components==0.10.5
-dash-canvas==0.1.0
-dash-core-components==1.12.0
-dash-cytoscape==0.2.0
-dash-daq==0.5.0
-dash-html-components==1.1.1
-dash-player==0.0.1
-dash-renderer==1.8.0
-dash-table==4.10.1
-dask
-datashader==0.11.1
-datashape==0.5.2
+dask==2.22.0
 deap==1.3.1
-debugpy==1.4.0
 decorator==4.4.2
-defusedxml==0.6.0
-deprecation==2.1.0
-dicom-upload==0.2.0
 dill==0.3.3
-distlib==0.3.1
-distributed==2.30.1
-distro==1.5.0
-docutils==0.15.2
 ecdsa==0.15
-entrypoints==0.3
 execnet==1.7.1
-fastcore==1.3.6
-fastscript==1.0.0
-filelock==3.0.12
-flake8==3.8.3
 Flask==1.1.2
-Flask-Caching==1.9.0
-Flask-Compress==1.4.0
 flatbuffers==1.12
-flit-core==3.2.0
-fsspec==0.6.2
+fsspec==0.8.5
 funcsigs==1.0.2
 future==0.18.2
 gast==0.4.0
-gitdb2==2.0.6
-GitPython==3.0.4
 google-auth==1.30.0
 google-auth-oauthlib==0.4.4
 google-pasta==0.2.0
 grako==3.99.9
-graphviz==0.13.2
 grpcio==1.34.1
 gviz-api==1.9.0
 h5py==3.1.0
-HeapDict==1.0.1
-hiredis==1.1.0
-holoviews==1.13.2
 html5lib==1.1
-hyperlink==19.0.0
 hypothesis==4.44.2
-icc-rt==2020.0.133
 idna==2.10
-idna-ssl==1.1.0
-imageio==2.9.0
-imagesize==1.1.0
-importlib-metadata==3.4.0
-incremental==17.5.0
 iniconfig==1.1.1
-intel-openmp==2020.0.133
 ipaddress==1.0.23
-ipydatawidgets==4.2.0
-ipykernel==6.0.3
-ipyleaflet==0.14.0
-ipympl==0.7.0
-ipynb==0.5.1
-ipyparallel==6.3.0
 ipython==7.16.1
 ipython-genutils==0.2.0
-ipythonblocks==1.9.0
-ipyvolume==0.6.0a8
-ipyvue==1.5.0
-ipyvuetify==1.6.2
-ipywebrtc==0.6.0
-ipywidgets==7.6.3
 isodate==0.6.0
-isort==4.3.21
-itk-core==5.2.1
-itk-filtering==5.2.1
-itk-io==5.2.1
-itk-meshtopolydata==0.7.1
-itk-numerics==5.2.1
-itk-registration==5.2.1
-itk-segmentation==5.2.1
 itsdangerous==1.1.0
 jedi==0.17.2
-jeepney==0.6.0
 Jinja2==2.11.2
-joblib==0.17.0
-jsfileupload==0.2.0
-json5==0.8.5
 jsonschema==3.2.0
-jupyter-bokeh==3.0.0
-jupyter-client==6.1.12
-jupyter-contrib-core==0.3.3
-jupyter-contrib-nbextensions==0.5.1
-jupyter-core==4.8.1
-jupyter-dash==0.4.0
-jupyter-highlight-selected-word==0.2.0
-jupyter-kernel-gateway==2.5.1
-jupyter-latex-envs==1.4.6
-jupyter-lsp==1.4.1
-jupyter-nbextensions-configurator==0.4.1
-jupyter-packaging==0.10.5
-jupyter-resource-usage==0.6.0
-jupyter-server==1.11.0
-jupyter-server-mathjax==0.2.3
-jupyter-server-proxy==3.1.0
-jupyter-telemetry==0.1.0
-jupyterhub==1.4.2
-jupyterlab==3.1.12
-jupyterlab-code-formatter==1.4.10
-jupyterlab-controlbtn==0.5.0
-jupyterlab-favorites==3.0.0
-jupyterlab-git==0.32.4
-jupyterlab-gitlab==3.0.0
-jupyterlab-iframe==0.4.0
-jupyterlab-latex==3.1.0
-jupyterlab-launcher==0.13.1
-jupyterlab-lsp==3.8.1
-jupyterlab-pygments==0.1.2
-jupyterlab-recents==3.0.1
-jupyterlab-server==2.8.1
-jupyterlab-spellchecker==0.7.1
-jupyterlab-system-monitor==0.8.0
-jupyterlab-topbar==0.6.1
-jupyterlab-tour==3.1.3
-jupyterlab-widgets==1.0.2
-jupyterthemes==0.20.0
 keras-nightly==2.5.0.dev2021032900
 Keras-Preprocessing==1.1.2
-keyring==21.8.0
 kiwisolver==1.2.0
-lazy-object-proxy==1.4.3
-lesscpy==0.14.0
 liac-arff==2.4.0
-line-profiler==3.1.0
-llvmlite==0.36.0
-locket==0.2.0
+locket==0.2.1
 lockfile==0.12.2
 lxml==4.5.2
 Mako==1.1.3
 Markdown==3.3.4
 MarkupSafe==1.1.1
 matplotlib==3.3.1
-matplotlib-inline==0.1.2
-mccabe==0.6.1
-memory-profiler==0.55.0
-mistune==0.8.4
 mock==4.0.2
 more-itertools==8.4.0
 mpmath==1.1.0
-msgpack==1.0.0
-multidict==4.7.5
-multipledispatch==0.6.0
-nbclassic==0.3.2
-nbclient==0.5.2
-nbconvert==6.1.0
-nbdime==3.1.0
-nbformat==5.1.2
-nest-asyncio==1.5.1
+msgpack==0.6.2
 netaddr==0.8.0
-netCDF4==1.5.4
+netCDF4==1.5.5.1
 netifaces==0.10.9
 networkx==2.4
 nose==1.3.7
-notebook==6.4.3
-numba==0.53.1
-numexpr==2.7.1
 numpy==1.19.4
 oauthlib==3.1.0
 olefile==0.46
 opt-einsum==3.3.0
 ordered-set==4.0.2
 packaging==20.4
-pamela==1.0.0
 pandas==1.1.0
-pandocfilters==1.4.3
-panel==0.9.5
-papermill==2.2.2
-param==1.9.3
 paramiko==2.7.1
 parso==0.7.1
-partd==1.1.0
-pastel==0.2.1
 pathlib2==2.3.5
-pathspec==0.6.0
-patsy==0.5.1
 paycheck==1.0.2
 pbr==5.4.5
 pep8==1.7.1
@@ -265,49 +98,29 @@ pexpect==4.8.0
 pickleshare==0.7.5
 Pillow==7.2.0
 pip==20.1.1
-pkginfo==1.7.0
-plotly==4.14.3
 pluggy==0.13.1
 ply==3.11
-poetry==1.1.6
-poetry-core==1.0.3
 portpicker==1.3.1
-prometheus-client==0.9.0
 prompt-toolkit==3.0.5
 protobuf==3.17.3
 prov==1.5.3
 psutil==5.7.2
 psycopg2==2.8.5
-ptvsd==4.3.2
 ptyprocess==0.6.0
-pvlink==0.3.1
 py==1.9.0
 pyasn1==0.4.8
 pyasn1-modules==0.2.8
-pycodestyle==2.6.0
 pycparser==2.20
 pycrypto==2.6.1
-pyct==0.4.6
-pydicom==1.4.2
-pydocstyle==5.0.2
 pydot==1.4.1
 pydotplus==2.0.2
-pydub==0.23.1
-pyflakes==2.2.0
 Pygments==2.6.1
-PyHamcrest==1.9.0
-PyJWT==1.7.1
-pylev==1.3.0
-pylint==2.5.3
-pymc3==3.8
 PyNaCl==1.4.0
-pynvml==8.0.4
-pyOpenSSL==19.1.0
 pyparsing==2.4.7
 pyrsistent==0.16.0
 pyshp==2.1.3
 pytest==5.4.3
-pytest-cov==2.10.1
+pytest-cov==2.11.1
 pytest-forked==1.3.0
 pytest-html==3.1.1
 pytest-lazy-fixture==0.6.3
@@ -315,75 +128,33 @@ pytest-metadata==1.11.0
 pytest-runner==5.2
 pytest-sugar==0.9.4
 pytest-xdist==1.34.0
-pytest-xprocess==0.13.1
 python-dateutil==2.8.1
-python-dotenv==0.10.3
 python-editor==1.0.4
 python-gflags==3.1.2
-python-json-logger==0.1.11
-python-jsonrpc-server==0.4.0
-python-lsp-jsonrpc==1.0.0
-python-lsp-server==1.1.0
 python-oauth2==1.1.1
-pythreejs==2.3.0
 pytz==2020.1
-pyunicore==0.9.9
-pyviz-comms==2.0.1
-PyWavelets==1.1.1
 PyYAML==5.3.1
 pyzmq==18.1.0
 rdflib==5.0.0
-recommonmark==0.6.0
-redis==3.5.3
-regex==2019.11.1
 requests==2.24.0
 requests-oauthlib==1.3.0
-requests-toolbelt==0.9.1
-requests-unixsocket==0.2.0
-retrying==1.3.3
-rise==5.7.1
-rope==0.16.0
 rsa==4.7.2
 Rtree==0.9.4
-ruamel.yaml==0.16.5
-ruamel.yaml.clib==0.1.2
 scandir==1.10.0
-scikit-build==0.11.1
-scikit-image==0.17.2
-scikit-learn==0.23.2
 scipy==1.5.2
 seaborn==0.10.1
-SecretStorage==3.2.0
-selenium==3.141.0
-Send2Trash==1.5.0
-service-identity==18.1.0
 setuptools==47.1.0
 setuptools-scm==4.1.2
-Shapely==1.7.1
-shellingham==1.4.0
-sidecar==0.5.1
-simpervisor==0.4
 simplegeneric==0.8.1
 simplejson==3.17.2
-singledispatch==3.4.0.3
 six==1.15.0
-smmap2==2.0.5
-smopy==0.0.7
-sniffio==1.2.0
-snowballstemmer==2.0.0
-sortedcontainers==2.3.0
 SPARQLWrapper==1.8.5
-Sphinx==1.8.5
-sphinx-rtd-theme==0.4.3
-sphinxcontrib-websupport==1.1.2
 SQLAlchemy==1.3.18
-statsmodels==0.10.2
+statsmodels==0.12.2
 sympy==1.6.1
 tabulate==0.8.8
-tailer==0.4.1
 TatSu==5.5.0
 tblib==1.7.0
-tenacity==6.0.0
 tensorboard==2.5.0
 tensorboard-data-server==0.6.1
 tensorboard-plugin-profile==2.4.0
@@ -391,52 +162,18 @@ tensorboard-plugin-wit==1.8.0
 tensorflow==2.5.0
 tensorflow-estimator==2.5.0
 termcolor==1.1.0
-terminado==0.10.1
-testpath==0.4.4
-textwrap3==0.9.2
-Theano==1.0.4
-threadpoolctl==2.2.0
-tifffile==2020.10.1
-tikzplotlib==0.9.8
 toml==0.10.1
-tomlkit==0.7.0
 toolz==0.10.0
-tornado==6.1
-tornado-proxy-handlers==0.0.5
-tqdm==4.56.0
 traitlets==4.3.3
 traits==6.1.1
-traittypes==0.2.1
-Twisted==19.7.0
-txaio==18.8.1
-typed-ast==1.4.2
 typing-extensions==3.7.4
-ujson==3.2.0
 urllib3==1.25.10
 vcversioner==2.16.0.0
-vega-datasets==0.8.0
-version-information==1.0.3
-vincent==0.4.4
-virtualenv==20.4.6
-voila==0.2.10
-voila-gridstack==0.2.0
-voila-material==0.4.0
-voila-vuetify==0.5.2
 wcwidth==0.2.5
 webencodings==0.5.1
-websocket-client==1.1.0
-websockify==0.9.0
 Werkzeug==2.0.0
 wget==3.2
 wheel==0.35.0
-widgetsnbextension==3.5.1
 wrapt==1.12.1
-wslink==0.1.13
-xarray==0.16.2
+xarray==0.16.0
 XlsxWriter==1.2.9
-yapf==0.28.0
-yarl==1.6.3
-zict==2.0.0
-zipp==3.4.0
-zope.interface==4.7.2
-zstandard==0.12.0