Merge pull request #83 from fusion-energy/develop

removed duplicate python packages

Dockerfile

@@ -79,22 +79,32 @@ RUN apt-get --yes install libeigen3-dev \
                           # needed for CadQuery functionality
                           libosmesa6-dev \
                           # needed for CadQuery functionality
-                          libgles2-mesa-dev && \
+                          libgles2-mesa-dev \
+                          # needed for Gmsh functionality
+                          libxft2 && \
                           apt-get autoremove && \
                           apt-get clean
 
-
 # installing cadquery and jupyter
 RUN conda install jupyter -y && \
-    conda install -c conda-forge -c python python=3.8 && \
+    conda install -c conda-forge -c python python=3.8
     # conda install -c conda-forge -c cadquery cadquery=2.2
     # commented out until next CQ release
-    conda install -c conda-forge -c cadquery cadquery=master
+    # conda install -c cadquery -c conda-forge cadquery=master
 # cadquery master dose not appear to show the .solid in the notebook
 
-# Installing Gmsh
-RUN conda install -c conda-forge gmsh
-RUN apt-get install libxft2 
+# python packages from the neutronics workflow
+RUN pip install neutronics_material_maker[density] \
+                openmc-plasma-source \
+                remove_dagmc_tags \
+                openmc-dagmc-wrapper \
+                openmc-tally-unit-converter \
+                regular_mesh_plotter \
+                spectrum_plotter \
+                openmc_source_plotter \
+                openmc_mesh_tally_to_vtk
+
+RUN conda install -c fusion-energy -c cadquery -c conda-forge paramak
 
 # Python libraries used in the workshop
 RUN pip install cmake\
@@ -108,16 +118,13 @@ RUN pip install cmake\
                 adaptive \
                 vtk \
                 itkwidgets \
-                nest_asyncio \
                 pytest \
                 pytest-cov \
                 holoviews \
                 ipywidgets \
 # cython is needed for moab
                 cython \
-                itkwidgets \
                 nest_asyncio \
-                ipywidgets \
                 jupyter-cadquery \
                 matplotlib
 
@@ -230,8 +237,7 @@ RUN cd /opt && \
     cd openmc && \
     mkdir build && \
     cd build && \
-    cmake -Doptimize=on \
-          -Ddagmc=ON \
+    cmake -DOPENMC_USE_DAGMC=ON \
           -DDAGMC_ROOT=/DAGMC \
           -DHDF5_PREFER_PARALLEL=off .. && \
     make -j"$compile_cores" && \
@@ -248,18 +254,7 @@ RUN pip install openmc_data_downloader && \
 ENV OPENMC_CROSS_SECTIONS=/nuclear_data/cross_sections.xml
 
 
-# python packages from the neutronics workflow
-RUN pip install neutronics_material_maker[density] \
-                openmc-plasma-source \
-                remove_dagmc_tags \
-                openmc-dagmc-wrapper \
-                openmc-tally-unit-converter \
-                regular_mesh_plotter \
-                spectrum_plotter \
-                openmc_source_plotter \
-                openmc_mesh_tally_to_vtk
 
-RUN conda install -c fusion-energy -c cadquery -c conda-forge paramak
 
 # an older version of openmc is need to provide an older executable
 # this particular exectuable allows an inital_source.h5 to be written

environment.yml

@@ -0,0 +1,35 @@
+
+channels:
+  - fusion-energy
+  - cadquery
+  - conda-forge
+dependencies:
+  - python=3.9
+  - paramak=0.7.2
+  - remove_dagmc_tags
+  - pip
+  - pip:
+    - jupyter-cadquery
+    - neutronics_material_maker[density]
+    - openmc-plasma-source
+    - openmc-dagmc-wrapper
+    - openmc-tally-unit-converter
+    - regular_mesh_plotter
+    - spectrum_plotter
+    - openmc_source_plotter
+    - openmc_mesh_tally_to_vtk
+    - cmake
+    - plotly
+    - tqdm
+    - scikit-optimize
+    - scikit-opt
+    - adaptive
+    - vtk
+    - itkwidgets
+    - nest_asyncio
+    - pytest
+    - pytest-cov
+    - holoviews
+    - ipywidgets
+    - cython
+    - matplotlib