wheels storage repository

Unofficial wheels for OpenMC, MOAB and NJOY2016 packages.

These are particularly useful to have available as wheels for various workflows as a temporary measure until official wheels are distributed on PyPI.

This is particularly enabling for a few places where I need an easy install for these packages (e.g. https://fusion-energy.github.io/neutronics-workshop/html/docs/install_pip.html).

Longer term there are efforts for these packages to distribute wheels on PyPI but in the meantime this repository might be of use, I am also supporting these efforts (either directly of via developer sponsorship). These temporary wheels also serve as a test of the future PyPI wheels.

There are two benefits of using this wheel over the Conda distribution of OpenMC

• The wheel contains OpenMC compiled with Embree enabled DAGMC while the Conda package does not have the Embree acceleration. The inclusion of Embree can in the some cases accelerate the DAGMC CAD based simulations by up to 8 times faster.
• The wheel contains a recent version of the develop branch that contains improvements and bug fixes compared to the last stable release available on Conda

Feedback welcome.

Prerequisites for installing

Install Python and pip if you don't already have these installed.

sudo apt install python3 python3-pip

Optionally create and activate a new virtual environment

sudo apt-get --yes install python3-venv
python3 -m venv .new_env
source .new_env/bin/activate

Installing with pip from this custom index (recommended)

You can install moab, openmc or njoy2016 directly from this repository using pip's --extra-index-url option, which works with the GitHub Pages index:

To install openmc

python -m pip install --extra-index-url https://shimwell.github.io/wheels openmc

To install moab

python -m pip install --extra-index-url https://shimwell.github.io/wheels moab

To install njoy2016

python -m pip install --extra-index-url https://shimwell.github.io/wheels njoy2016

This makes the njoy executable available on your PATH, reading its input deck from stdin exactly as a source build does

njoy < my_input_deck

The bundled executable can also be located from Python, which is useful for pointing OpenMC's openmc.data.njoy helpers at it

import njoy
njoy.executable()   # path to the bundled njoy binary

Using the above pip install method will automatically select the correct wheel for your Python version and platform, if available (please let us know if additional builds would be desirable).

Installing from file

If you know what version of Python you have and your opperating system then you can install a specific wheel using the direct link to the file, for example:

Moab Python 3.12 on Linux

python -m pip install https://shimwell.github.io/wheels/moab/moab-5.5.1-cp312-cp312-manylinux_2_28_x86_64.whl

OpenMC for Python 3.12 on Linux

python -m pip install https://shimwell.github.io/wheels/openmc/openmc-0.15.3-cp312-cp312-manylinux_2_28_x86_64.whl

NJOY2016 on Linux. Note that the NJOY2016 wheels are tagged py3-none-<platform> rather than per Python version, because the wheel ships a Fortran executable and no Python extension module, so one wheel per platform works on every supported Python

python -m pip install https://shimwell.github.io/wheels/njoy2016/njoy2016-2016.79.post8-py3-none-manylinux_2_26_x86_64.manylinux_2_28_x86_64.whl

Reproduce the wheels

You can build the OpenMC, MOAB and NJOY2016 wheels yourself from source code if you prefere.

• OpenMC wheels can be built with this branch and with these commands
• MOAB wheels can be built using the python -m build command on the develop branch
• NJOY2016 wheels can be built with python -m build on the feature/python-wheel branch, or for all platforms by the Build wheels workflow on that branch. This issue documents what the packaging changes are and why

A note on the NJOY2016 package name

NJOY2016 is distributed here as njoy2016 rather than njoy because the njoy name on PyPI is already taken by an unrelated unofficial upload, which ships a Linux binary under a py3-none-any tag and exposes a different command line interface (it takes the input deck as a positional argument rather than reading stdin). Since --extra-index-url pools candidates across PyPI and this index and picks the highest version, sharing the name would make resolution depend on staying ahead of that upload. Using a distinct name keeps it deterministic.

NJOY2016's licence permits binary redistribution provided the copyright notice and disclaimer accompany the distribution; the LICENSE file is included inside each wheel. These wheels are an unofficial build and are not endorsed by LANL.