Merge pull request #26 from fusion-energy/cadquery_pip

pip install cadquery

.github/workflows/ci_with_install.yml

@@ -24,18 +24,19 @@ jobs:
       image: continuumio/miniconda3:4.12.0
     steps:
       - name: Checkout repository
-        uses: actions/checkout@v2
+        uses: actions/checkout@v3
 
       - name: install non pypi dependencies for cad creation
         run: |
           apt-get --allow-releaseinfo-change update
           apt-get update -y
           apt-get upgrade -y
           apt-get install -y libgl1-mesa-glx libgl1-mesa-dev libglu1-mesa-dev  freeglut3-dev libosmesa6 libosmesa6-dev  libgles2-mesa-dev
-          conda install -c conda-forge moab
-          conda install -c conda-forge gmsh
-          conda install -c conda-forge python-gmsh
-          conda install -c cadquery -c conda-forge cadquery=master
+          apt-get install -y libpangocairo-1.0-0
+          conda install -c conda-forge -y moab
+          conda install -c conda-forge -y gmsh
+          conda install -c conda-forge -y python-gmsh
+          conda install -c conda-forge -y "openmc=0.13.3=dagmc*nompi*"
 
       - name: install package
         run: |
@@ -112,12 +113,6 @@ jobs:
           cd examples
           python single_stp_file.py
 
-      - name: install non pypi dependencies for neutronics
-        run: |
-          conda remove cadquery -y
-          conda install -c conda-forge mamba -y
-          mamba install -c conda-forge -y "openmc=0.13.1=dagmc*nompi*"
-
       - name: Run simulation tests
         run: |
           pip install .[tests]

.github/workflows/conda-build-test.yml

@@ -10,10 +10,10 @@ on:
 jobs:
   build:
     runs-on: ubuntu-latest
-    container: continuumio/miniconda3:4.10.3
+    container: continuumio/miniconda3:4.12.0
 
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
 
       - name: Set up conda
         run: |

README.md

@@ -52,13 +52,11 @@ mamba install -c fusion-energy -c cadquery -c conda-forge cad_to_dagmc
 # Install (Conda + pip)
 
 You will need to install some dependencies that are not available via PyPi.
-This example uses mamba but conda could also be used.
+This example uses Conda but Mamba could also be used.
 ```bash
-conda install -c conda-forge mamba
-mamba install -c conda-forge moab
-mamba install -c conda-forge gmsh
-mamba install -c conda-forge python-gmsh
-mamba install -c cadquery -c conda-forge cadquery=master
+conda install -c conda-forge moab
+conda install -c conda-forge gmsh
+conda install -c conda-forge python-gmsh
 ```
 
 Then you can install the cad_to_dagmc package with ```pip```

conda/conda_build_config.yaml

@@ -1,5 +1,3 @@
 python:
     - 3.9
     - 3.8
-cadquery:
-    - master

conda/meta.yaml

@@ -18,9 +18,9 @@ requirements:
     - setuptools_scm>=6.3.1
   run:
     - python {{ python }}
-    - brep_part_finder>=0.5.0
-    - brep_to_h5m>=0.4.0  # which brings in moab
-    - cadquery {{ cadquery }}
+    - cadquery>=2.2.0
+    - brep_to_h5m>=0.4.2  # which brings in moab
+    - brep_part_finder>=0.5.2
 
 test:
   imports:

pyproject.toml

@@ -18,11 +18,9 @@ classifiers = [
     "Operating System :: OS Independent",
 ]
 dependencies = [
-    "numpy>=1.21.1",
-    "vertices_to_h5m",
-    "scipy",
-    "brep_to_h5m",
-    "brep_part_finder",
+    "cadquery>=2.2.0",
+    "brep_to_h5m>=0.4.2",
+    "brep_part_finder>=0.5.2",
 ]
 dynamic = ["version"]
 

tests/test_h5m_in_simulation.py

@@ -1,6 +1,6 @@
 # import dagmc_h5m_file_inspector as di
 import openmc
-import openmc_data_downloader as odd
+import openmc_data_downloader
 
 
 """
@@ -18,13 +18,16 @@ def transport_particles_on_h5m_geometry(
     for material_tag in material_tags:
         # simplified material definitions have been used to keen this example minimal
         mat_dag_material_tag = openmc.Material(name=material_tag)
-        mat_dag_material_tag.add_element("H", 1, "ao")
+        mat_dag_material_tag.add_nuclide("H1", 1, "ao")
         mat_dag_material_tag.set_density("g/cm3", 2)
 
         materials.append(mat_dag_material_tag)
 
-    # downloads the nuclear data and sets the openmc_cross_sections environmental variable
-    odd.just_in_time_library_generator(libraries="ENDFB-7.1-NNDC", materials=materials)
+    materials.download_cross_section_data(
+        libraries=["ENDFB-7.1-NNDC"],
+        set_OPENMC_CROSS_SECTIONS=True,
+        particles=["neutron"],
+    )
 
     # makes use of the dagmc geometry
     dag_univ = openmc.DAGMCUniverse(h5m_filename)