Using sci kit build

[shimwell]

this just allows the package to be installed with scikit build

[shimwell]

CI here
https://github.com/shimwell/openmc/actions/runs/3384397027

[shimwell]

I've been running the ci manually and it is passing
https://github.com/shimwell/openmc/actions/runs/3385193646

[hassec]

Hi @shimwell, I've found this via openmc-dev#1242.

Just a curious bystander wondering how far you have already gotten trying to make OpenMC a PyPI package?
I've not worked with sckit-build before, but have a lot of C++ experience, and I'd be happy to be a guinea pig or help in any way I can :).

[shimwell]

Thanks for your interest, your could give this a go and let me know if it works

pip install git+https://github.com/shimwell/openmc.git@using-sci-kit-build

[hassec]

Thanks for the prompt reply @shimwell.

I just tried the pip install, and everything works as expected 👍 (python 3.10.7, pip 22.3.1)

[shimwell]

Awesome thanks for testing @hassec

I was half expecting something to fail as there are kind of two parts the package which can be tested with simple terminal commands simple python -c 'import openmc' checks the python side is installed. It should just not print any errors. The executable that can be tested with a simple openmc and it should print out the openmc logo like normal.

glad to hear things are working.

I discussed making a PR and merging with @paulromano and we are mainly waiting for the right time to cause minimal disruptions.

[hassec]

@shimwell I tested the import of the python package and played around a bit and couldn't see a problem. But I realized that I was a bit to quick, because the package didn't come with the openmc binary so my openmc run actually used my normal install.

So I now went with trying to do a run based on existing xml files via

import openmc 
openmc.run(...)

and that resulted in a openmc: error while loading shared libraries: libopenmc.so: cannot open shared object file: No such file or directory

Easily fixed via export LD_LIBRARY_PATH=/home/chasse/software/pyenv/versions/test_openmc_pip/lib/python3.10/site-packages/openmc/lib/

after which the above worked, and the tallies.out looks identical to the one I produced from the same settings with my default openmc install

[shimwell]

Thanks this is super useful to know. I hope this need for a manual LD_LIBRARY_PATH gets fixed in the ciwheelbuilder PR which is over here

[hassec]

Oh nice, I'll keep an eye on that PR as well, and am happy to try a built wheel once they work 😊

[shimwell]

scikit-build was just updated to version 0.16.5