Publish package

[zain-sohail]

Now we have the capability of prereleasing to pypi whenever we push to main. And releasing when we push a tag.
The release version can be arbitrarily set by the person who releases (by defining the tag).
The package is distributed as sed-processor and can be found on https://pypi.org/project/sed-processor/

There are four steps to what the workflow does:

• Workflow runs prerelease job on every push to main branch and a release job on every tag push.
  • prerelease example run: https://github.com/OpenCOMPES/sed/actions/runs/6897868624
  • release example run: https://github.com/OpenCOMPES/sed/actions/runs/6898553103
• A publish to pypi job is executed on every successful prerelease or release job
• And if publish is successful, the version is also updated in the pyproject.toml file and pushed to main branch (so we are always upto date)
  • By default, a workflow run that is triggered by a push event will not trigger another push event when it pushes changes to the repository so we don't have worries for recursive runs.

Necessary changes to be made before merging:

• change workflow to make this run on main
• let other workflows run before merging
• fix environment to allow main

closes #266

Changes made:

• docs dependencies now have a seperate section in toml file. This way they are not packaged for users (only developers need to generate docs), just like dev-dependencies aren't packaged
• updated license for current year
• fixed shields
• updated name of documentation workflow so we can get a nice shield
• updated readme
• changed documentation structure to allow readme and tutorials first

Improvements possible:

• simplify workflow with the sed-processor paths (but not sure how possible that is)
• further enhance the maintain file
• add the hextof tutorial in documentation

[coveralls]

Pull Request Test Coverage Report for Build 6905159534

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 3 unchanged lines in 1 file lost coverage.
• Overall coverage decreased (-0.05%) to 89.939%

---

Files with Coverage Reduction	New Missed Lines	%
sed/binning/numba_bin.py	3	87.74%

Totals
Change from base Build 6890295349:	-0.05%
Covered Lines:	5006
Relevant Lines:	5566

---

💛 - Coveralls

[steinnymir]

This looks great!
Do I understand correctly, that a patch vesrsion is automatically updated when we merge a PR to main?

For example, now we are at 0.1.4. Will the next merge bump us to 0.1.5? or how do pre-release versions look like?

And for releases, we should instead change the minor or even major, i.e. 0.1.4 -> 0.2.0?

[zain-sohail]

This looks great! Do I understand correctly, that a patch vesrsion is automatically updated when we merge a PR to main?

For example, now we are at 0.1.4. Will the next merge bump us to 0.1.5? or how do pre-release versions look like?

prerelease are great because users don't get to install them unless they explicitly say. They look like this:
https://pypi.org/project/sed-processor/#history
so 0.1.4 -> 0.1.5a0 -> 0.1.5a1
and then when we feel ready to make a minor or patch release, we can do so manually.
by saying
git tag v0.1.5
git push origin v0.1.5

which would make it: 0.1.5a1 -> 0.1.5

From semantic versioning

MAJOR version when you make incompatible API changes
MINOR version when you add functionality in a backward compatible manner
PATCH version when you make backward compatible bug fixes

Instead of prereleasing, we can also patch everytime, but I think it's better to do it manually just because if things get broken in the automated pipeline, at least we don't have a release.

And for releases, we should instead change the minor or even major, i.e. 0.1.4 -> 0.2.0?
yess. we probably want to do 1.0.0 when all the important PRs are merged.

[steinnymir]

This looks good! I'll test installing it from pypi now, and approve if this works!

[steinnymir]

so 0.1.4 -> 0.1.5a0 -> 0.1.5a1

perfect! this I love this!

And yes, I think once most of the current open PRs are merged we can bump to 1.0.0!

[rettigl]

This looks great, yes!
There is now the email address [email protected], which for the moment links to my email, but the idea is to get an email list for this. So I suggest to use if for publishing as disussed in #183.

[rettigl]

We can make the pipy badge link to the pipy page.

[steinnymir]

It worked, I got it installed on maxwell with python 3.10 by simply creating a conda environment, and running pip install sed-processor.

The only problem is we have really a LOT of dependencies!

LGTM!

[zain-sohail]

It worked, I got it installed on maxwell with python 3.10 by simply creating a conda environment, and running pip install sed-processor.

The only problem is we have really a LOT of dependencies!

Yes, I also noticed it and we really should see if we can remove some.

[rettigl]

Yes, I also noticed it and we really should see if we can remove some.

A lot of them come from pynxtools...