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V0.10.0 #197

Merged
merged 117 commits into from
Dec 16, 2024
Merged

V0.10.0 #197

merged 117 commits into from
Dec 16, 2024

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schmoelder
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@schmoelder schmoelder commented Dec 4, 2024

  • Create new branch v0.10.0 from dev
  • Bump version in CADETProcess/__init__.py
  • Bump version in .zenodo.json and update authors
  • Add release notes in docs/source/release_notes/vX.Y.Z.md
    • General description
    • Deprecations / other changes
    • Closed Issues / PRs
    • Add entry in index.md
  • When ready, rebase again onto dev (in case changes were made)
  • Commit with message vX.Y.Z
  • Add tag (git tag 'vX.Y.Z') and push tag: (git push origin --tag)
  • Merge into master
  • Make release on GitHub using tag and release notes.
  • Check that workflows automatically publish to PyPI and [https://cadet-process.readthedocs.io/]

Other To-Dos:

  • Check documentation

ronald-jaepel and others added 30 commits June 18, 2024 21:13
Previously, there were two interfaces in the `OptimizationProblem` for calling evaluation functions (e.g. objectives): one for evaluating individuals, and one for populations.
To simplify the code base, these two methods were now unified.
To ensure backward compatibility, a 1D-Array is returned if a single individual is passed to the function.
Previously, the cadet path set in Cadet(install_path="path") was not inherited into cadet instances created from the run() method.
Fix and extend tests about .calculate_interstitial_rt/velocity
Previously, this was required because CADET-Core was not setting the
PATH correctly.
Now, this can lead to inconsistent behaviour.
Note, this requires CADET>4.4.0
Recently, the option to (not) plot the time axis using minutes was
introduced.
This commit fixes some methods that were not properly implemented.
Moreover, the name of the flag was changed from `use_minutes` to
`x_axis_in_minutes` to make clear that only plotting is affected and not
other parameter values (e.g. start and end times).
Updates and Fixes plot_at_position by adding start, end and
x_axis_in_minutes as parameters in solution.py
Not sure if this is considered good practice. However, until we have a
better way to include examples / tests in the documentation, I believe
this does not do too much harm.
@schmoelder
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schmoelder commented Dec 16, 2024

I still have an issue with building the documentation. I get an error for user_guide/process_evaluation/fractionation.md. However, when trying to debug this locally, I cannot reproduce the issue. @ronald-jaepel do you maybe have some time to built it locally with:

  • CADET-Core v5.0.3
  • CADET-Python v1.0.4
  • and this branch (v0.10.0)

@ronald-jaepel
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ronald-jaepel commented Dec 16, 2024

Final lines:

sphinx-sitemap: sitemap.xml was generated for URL http://127.0.0.1:8000/ in C:\Users\ronal\PycharmProjects\CADET-Process\docs\build\sitemap.xml
build succeeded, 215 warnings.

The HTML pages are in build.

cadet env:

cadet                     5.0.3                h6c8fd53_0    conda-forge
cadet-process             0.10.0                   pypi_0    pypi
cadet-python              1.0.4                    pypi_0    pypi

However, I got about 2000 lines of errors: https://gist.github.com/ronald-jaepel/ac1da0f9919474967af0ef7213a706f7

@schmoelder schmoelder merged commit 1cf3a54 into master Dec 16, 2024
4 checks passed
@schmoelder schmoelder deleted the v0.10.0 branch December 16, 2024 14:06
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7 participants