changing the order of installation (qmmlpack vs. quip)

Dockerfile

@@ -58,6 +58,33 @@ RUN conda install --quiet --yes \
 # - grain-boundaries: asap3
 # - qmmlpack: dscribe pytest
 
+
+# ================================================================================
+#  QMMLPACK
+# ================================================================================
+
+# for the test TMPDIR has to be defined
+ENV TMPDIR "/tmp/"
+
+WORKDIR /opt/qmmlpack
+COPY 3rdparty/qmmlpack .
+
+USER root
+RUN chown -R $NB_USER:$NB_GID $PWD
+USER $NB_USER
+
+RUN ./make --debug --verbose cpp --include-path /usr/include/gsl/ --library-path /usr/lib/ 
+RUN ./make --debug --verbose python --include-path /usr/include/gsl/ --library-path /usr/lib/ 
+
+
+#RUN make -v install
+ENV PYTHONPATH "/opt/qmmlpack/python":$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 $HOME/tutorials/data/cmlkit/
+
+
 # ================================================================================
 #  QUIP + GAP + quippy
 # ================================================================================
@@ -90,32 +117,6 @@ RUN pip install src/f90wrap \
 # Make quippy executable available from terminal
 ENV PATH /opt/quip/bin:$PATH
 
-# ================================================================================
-#  QMMLPACK
-# ================================================================================
-
-# for the test TMPDIR has to be defined
-ENV TMPDIR "/tmp/"
-
-WORKDIR /opt/qmmlpack
-COPY 3rdparty/qmmlpack .
-
-USER root
-RUN chown -R $NB_USER:$NB_GID $PWD
-USER $NB_USER
-
-RUN mv cpp/tests/test_representations_mbtr.cpp cpp/tests/test_representations_mbtr.cpp.skip \
- && ./make --verbose cpp --include-path /usr/include/gsl/ --library-path /usr/lib/ 
-
-RUN ./make --debug python --include-path /usr/include/gsl/ --library-path /usr/lib/ 
-
-#RUN make -v install
-ENV PYTHONPATH "/opt/qmmlpack/python":$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/
-
 
 # ================================================================================
 # Install all of the package dependencies of the tutorials
@@ -162,6 +163,7 @@ RUN mkdir data && ln -s /opt/tutorials/*/data/* .
 RUN fix-permissions $TUTORIALS_HOME \
  && fix-permissions $HOME/.local/share/jupyter
 
+
 # ================================================================================
 # Switch back to jovyan to avoid accidental container runs as root
 # ================================================================================