Merge pull request #68 from fusion-energy/single_env

Single environment with openmc and cadquery

.github/workflows/ci_with_benchmarks.yml

@@ -40,8 +40,6 @@ jobs:
           mamba install -y -c conda-forge "openmc=0.14.0=dagmc*nompi*" moab>=5.3.0 gmsh python-gmsh
           python -m pip install --upgrade pip
           python -m pip install .
-          python -m pip install cadquery-ocp==7.7.2
-          python -m pip install cadquery==2.4.0
           python -m pip install openmc_data_downloader
           openmc_data_downloader -l ENDFB-7.1-NNDC -i Fe56 Be9
           git clone --single-branch -b main --depth 1 https://github.com/fusion-energy/model_benchmark_zoo.git

.github/workflows/ci_with_install.yml

@@ -1,4 +1,6 @@
 
+# This CI does includes particle transport tests as openmc is installed
+
 name: CI with install
 
 on:
@@ -37,15 +39,12 @@ jobs:
           mamba activate
           mamba create -y --name cad_to_dagmc python=3.10
           mamba activate cad_to_dagmc
-          mamba install -y -c conda-forge moab>=5.3.0 gmsh python-gmsh ocp=7.7.2.0 cadquery=2.4.0
+          mamba install -y -c conda-forge "openmc=0.14.0=dagmc*nompi*" gmsh python-gmsh
           python -m pip install --upgrade pip 
           python -m pip install .
           python -c "import cad_to_dagmc"
           python -m pip install .[tests]
-          pytest -v tests/test_file_creation.py
-          pytest -v tests/test_loading_from_file_vs_shape_object.py
-          pytest -v tests/test_python_api.py
-          pytest -v tests/test_version.py
+          pytest -v tests
           python examples/surface_mesh/create_stp_files_for_examples.py
           python examples/surface_mesh/cadquery_assembly.py
           python examples/surface_mesh/cadquery_compound.py
@@ -58,13 +57,4 @@ jobs:
           python examples/surface_mesh/single_cadquery_object.py
           python examples/surface_mesh/single_stp_file.py
           python examples/unstrucutred_volume_mesh/curved_cadquery_object_to_dagmc_volume_mesh.py
-          pytest -v tests/test_model_creation_for_transport.py
-          mamba activate base
-          mamba create -y --name openmc python=3.10
-          mamba activate openmc
-          mamba install -y -c conda-forge "openmc=0.14.0=dagmc*nompi*"
-          python -m pip install pytest
-          python -m pip install vtk
-          pytest -v tests/test_h5m_in_simulation.py
-          pytest -v tests/test_h5m_in_transport.py
           python examples/unstrucutred_volume_mesh/simulate_unstrucutred_volume_mesh_with_openmc.py

.github/workflows/ci_with_pip_install.yml

@@ -1,4 +1,6 @@
 
+# This CI does not currently include particle transport tests as openmc is not installed
+
 name: CI with pip install
 
 on:
@@ -32,16 +34,24 @@ jobs:
           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 libarchive-dev libpangocairo-1.0-0 libxcursor-dev libxft2 libxinerama-dev 
+          apt-get install -y make cmake
           apt install python3
           apt install python3-pip
-          python -m pip install --upgrade pip 
-          python -m pip install gmsh
-          python -m pip install cadquery-ocp==7.7.2
-          python -m pip install cadquery==2.4.0
+          python -m pip install --upgrade pip
+          mkdir MOAB
+          cd MOAB
+          git clone --single-branch -b 5.5.1 --depth 1 https://bitbucket.org/fathomteam/moab/
+          mkdir build
+          cd build
+          apt-get install -y libeigen3-dev
+          cmake ../moab -DENABLE_PYMOAB=ON -DENABLE_HDF5=ON -DENABLE_BLASLAPACK=OFF -DENABLE_FORTRAN=OFF
+          make -j2
+          make install
+          cd ../..
           python -m pip install .
           python -c "import cad_to_dagmc"
           python -m pip install .[tests]
-          pytest tests -v
+          pytest -v tests
           cd examples
           python create_stp_files_for_examples.py
           python cadquery_assembly.py

README.md

@@ -30,11 +30,9 @@ Also checkout these other software projects that also create DAGMC geometry [CAD
 
 # Installation options
 
-- Install using Mamba and minimal pip
-- Install using Conda and minimal pip
+- Install using Mamba and pip
+- Install using Conda and pip
 - Install using pip and source compilations
-- Install using Conda and maximum pip  TODO
-- Install using Mamba and maximum pip  TODO
 
 
 ## Install using Mamba and pip
@@ -59,25 +57,14 @@ mamba activate new_env
 
 Install the dependencies
 ```bash
-mamba install -y -c conda-forge gmsh python-gmsh moab>=5.3.0 ocp>=7.7.2.0 cadquery>=2.4.0
+mamba install -y -c conda-forge "moab>=5.3.0" gmsh python-gmsh
 ```
 
 Then you can install the cad_to_dagmc package with ```pip```
 ```bash
 pip install cad_to_dagmc
 ```
 
-You may also want to install OpenMC with DAGMC to make use of the h5m geometry files produced in simulations. However you could also use other supported particle transport codes such as MCNP, FLUKA and others [link to DAGMC documentation](https://svalinn.github.io/DAGMC/).
-
-To install OpenMC You can run ```mamba install -c conda-forge openmc``` however this more specific command makes sure the latest version of OpenMC which contains DAGMC is chosen by conda / mamba
-```bash
-mamba install -c conda-forge -y "openmc=0.14.0=dagmc*nompi*"
-```
-
-It might not be possible to install OpenMC and cad-to-dagmc in the same conda/mamba python environment so you may have to create a new conda/mamba environment and install OpenMC there.
-
-Another option would be to [install OpenMC from source](https://docs.openmc.org/en/stable/quickinstall.html) which would also need compiling with MOAB and DAGMC options. 
-
 
 ## Install using Conda and pip
 
@@ -100,7 +87,7 @@ conda activate new_env
 
 Install the dependencies
 ```bash
-conda install -y -c conda-forge gmsh python-gmsh moab>=5.3.0 ocp>=7.7.2.0 cadquery>=2.4.0
+conda install -y -c conda-forge "moab>=5.3.0" gmsh python-gmsh
 ```
 
 Then you can install the cad_to_dagmc package with ```pip```
@@ -110,23 +97,40 @@ pip install cad_to_dagmc
 
 ## Install using pip and source compilations
 
-It is possible to avoid the use of conda and installing using pip and compiling from source.
+It should possible to avoid the use of conda and installing using pip and compiling from source.
 
 First compile MOAB (and install Pymoab) from source
 
-Then install cadquery and ocp using pip
+Then install gmsh from source (installing from pip appears to cause conflicts with the open cascade used in ocp and cadquery)
+
+Then you can install the cad_to_dagmc package with ```pip```
 
 ```bash
-pip install cadquery-ocp==7.7.2
-pip install cadquery==2.4.0
+pip install cad_to_dagmc
 ```
 
-Then you can install the cad_to_dagmc package with ```pip```
+## Install with transport code (e.g OpenMC)
 
+You may also want to install OpenMC with DAGMC to make use of the h5m geometry files produced in simulations. However you could also use other supported particle transport codes such as MCNP, FLUKA and others [link to DAGMC documentation](https://svalinn.github.io/DAGMC/).
+
+To install OpenMC you can run ```mamba install -c conda-forge openmc``` however this more specific command makes sure the latest version of OpenMC which contains DAGMC is chosen by conda / mamba
 ```bash
-pip install cad_to_dagmc
+mamba install -c conda-forge -y "openmc=0.14.0=dagmc*nompi*"
 ```
 
+It might not be possible to install OpenMC and cad-to-dagmc in the same conda/mamba python environment so you may have to create a new conda/mamba environment and install OpenMC there.
+
+Another option would be to [install OpenMC from source](https://docs.openmc.org/en/stable/quickinstall.html) which would also need compiling with MOAB and DAGMC options.
+
+
+
+# Known incompatibilities
+
+The package requires newer versions of Linux. For example the package does not work on Ubuntu 18.04 or older.
+
+The package requires newer versions of pip. It is recommended to ensure that your version of pip is up to date. This can be done with ```python -m pip install --upgrade pip```
+
+Installing one of the package dependancies (gmsh) with pip appears to result in occational errors when passing cad objects between cadquery / ocp and gmsh. The conda install gmsh appears to work fine.
 
 # Usage - with OpenMC
 

pyproject.toml

@@ -20,6 +20,8 @@ classifiers = [
 dependencies = [
     "trimesh",
     "networkx",
+    "cadquery-ocp>=7.7.2",
+    "cadquery>=2.4.0",
 ]
 dynamic = ["version"]