Fix dockerfile

Dockerfile

@@ -70,90 +70,6 @@ RUN conda install --quiet --yes \
  &&	conda install -c plotly plotly-orca \
  && conda install -c conda-forge umap-learn 
 
-# Special dependecies:
-# - grain-boundaries: asap3
-# - qmmlpack: dscribe pytest
-
-# fixing pip installation issue of nomad-lab dependency: orjson 
-
-# ================================================================================
-#  QMMLPACK
-# ================================================================================
-
-# for the test TMPDIR has to be defined
-ENV TMPDIR "/tmp/"
-
-WORKDIR /opt/qmmlpack
-COPY 3rdparty/qmmlpack .
-
-USER root
-
-RUN ./make --debug --verbose cpp --include-path /usr/include/gsl/ --library-path /usr/lib/ 
-RUN ./make --debug --verbose python --include-path /usr/include/gsl/ --library-path /usr/lib/ 
-
-RUN chown -R $NB_USER:$NB_GID $PWD
-USER $NB_USER
-
-
-#RUN make -v install
-ENV PYTHONPATH "/opt/qmmlpack/python":$PYTHONPATH
-
-# The CML_PLUGINS environment variable tells cmlkit to register the cscribe plugin, which provides the dscribe interface.
-ENV CML_PLUGINS "cscribe"
-ENV CML_DATASET_PATH $HOME/tutorials/data/cmlkit/
-
-# Dependecies:
-# - ase: many
-# - nglview: many
-# - asap3: grain-boundaries
-
-# ================================================================================
-#  QUIP + GAP + quippy
-# ================================================================================
-
-# All the QUIPs go here; added to path in the end.
-WORKDIR /opt/quip
-
-# QUIP for general use is the OpenMP version.
-ENV QUIP_ARCH linux_x86_64_gfortran_openmp
-ENV QUIP_INSTALLDIR /opt/quip/bin
-
-COPY 3rdparty/quip .
-COPY 3rdparty/gap src/GAP
-COPY files/Makefile.inc build/$QUIP_ARCH/
-COPY files/GIT_VERSION .
-COPY files/GAP_VERSION src/GAP/
-
-USER root
-RUN chown -R $NB_USER:$NB_GID $PWD
-USER $NB_USER
-
-# Installs with no suffix, e.g. quip
-RUN make \
- && make install
-
-# Installs quippy
-RUN pip install src/f90wrap \
- && make install-quippy
-
-# Make quippy executable available from terminal
-ENV PATH /opt/quip/bin:$PATH
-
-# below temporary install of pysisso - to be removed for the c++  version
-COPY 3rdparty/pysisso .
-RUN pip install .
-
-# ================================================================================
-#  SISSO++
-# ================================================================================
-
-WORKDIR /opt/cpp_sisso
-
-COPY 3rdparty/cpp_sisso .
-WORKDIR /opt/cpp_sisso/build
-USER root
-RUN cmake -C ../cmake/toolchains/gnu_py.cmake -DEXTERNAL_BOOST=OFF ../ \
-&& make install
 
 # ================================================================================
 # Install all of the package dependencies of the tutorials
@@ -162,9 +78,10 @@ RUN cmake -C ../cmake/toolchains/gnu_py.cmake -DEXTERNAL_BOOST=OFF ../ \
 WORKDIR /opt/tutorials
 COPY tutorials/ .
 
-RUN pip install ./analytics-compressed-sensing 
-RUN pip install ./analytics-decision-tree
-RUN pip install ./analytics-krr4mat
+RUN pip install ./analytics-convolutional-nn 
+RUN pip install ./analytics-exploratory-analysis
+RUN pip install ./analytics-nn-regression
+RUN pip install ./analytics-query-nomad-archive
 
 RUN pip install nomad-lab