Update to package configuration

[LiamPattinson]

This update aims to bring openmc-plasma-source in line with PEP 517 recommendations for packaging etc. The build/install details in setup.py are moved to setup.cfg and pyproject.toml as simple input files. Rather than calling:

• python setup.py install/python setup.py develop
• python setup.py sdist bdist_wheel

One should instead call:

• pip install ./pip install -e . (for 'develop' mode)
• python -m build

Rather than using a requirements file, the project requirements may be listed in setup.cfg, and optional dependencies may be installed using:

• pip install -e .[tests] (-e is optional)

This update also introduces automatic version inference, meaning the git tag is the 'single source of truth' for versioning. The version is updated with developer tags when between patch versions, i.e. one commit after 0.5.3 will be 0.5.4.dev0+[git commit].d[date].

[codecov]

Codecov Report

Merging #39 (4889184) into develop (ca46cab) will decrease coverage by 2.66%.
The diff coverage is 78.57%.

@@             Coverage Diff             @@
##           develop      #39      +/-   ##
===========================================
- Coverage    96.34%   93.67%   -2.67%     
===========================================
  Files            6        6              
  Lines          164      174      +10     
===========================================
+ Hits           158      163       +5     
- Misses           6       11       +5     

Impacted Files	Coverage Δ
openmc_plasma_source/plotting/__init__.py	100.00% <ø> (ø)
openmc_plasma_source/__init__.py	61.53% <50.00%> (-38.47%)	⬇️
openmc_plasma_source/point_source.py	86.66% <80.00%> (ø)
openmc_plasma_source/ring_source.py	88.88% <80.00%> (ø)
openmc_plasma_source/tokamak_source.py	97.87% <90.00%> (ø)
...enmc_plasma_source/plotting/plot_tokamak_source.py	100.00% <100.00%> (ø)

---

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 1a09eb2...4889184. Read the comment docs.

[shimwell]

Great to have this all in one place. Looking forward to making use of this elsewhere as well. @RemDelaporteMathurin we have a similar PR on the Paramak that has been merged already and I think this one is good to go if you are happy with it

[RemDelaporteMathurin]

@shimwell @LiamPattinson thanks again for this. For some reason the CI/ testing workflow failed, does it need updating too?

[LiamPattinson]

Going to be honest, I'm really not sure why that failed. It's odd that pytest ran fine, but the python calls didn't. All I can think of is that circleci might be using Python 3 for pip calls, and Python 2.7 for direct python calls. I've made it explicit, and we'll see how it goes.

[LiamPattinson]

I had to play around in the openmc docker image to get to the root of this, and I think it might be as simple as doing a proper install rather than a 'develop' install in the CI. Calling pip install -e . in a locally hosted docker container led to similar issues of openmc-plasma-source not being included in the python path.

[RemDelaporteMathurin]

@LiamPattinson for some reason there seem to be some conflicts with this PR and I can't run the workflow until there are fixed

[LiamPattinson]

Sorry about that, the latest fix seems to have done it.

[RemDelaporteMathurin]

Thanks for this @LiamPattinson