v1.0.4

CADET-Python v1.0.4 is a patch release to fix an issue when writing string arrays using the new C-API.

What's Changed

• Fix DLL (again) by @schmoelder in #46

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Full Changelog: v1.0.3...v1.0.4

v1.0.3

CADET-Python v1.0.3 is a patch release to fix some inconsistencies in the solution output dimensions when using C-API vs. CLI.

What's Changed

• Add .zenodo.json by @hannahlanzrath in #38
• Fix DLL by @schmoelder in #42

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Full Changelog: v1.0.2...v1.0.3

v1.0.2

CADET-Python v1.0.2 is a patch release to fix some inconsistencies between the solution shape when using the CLI vs the C-API.

What's Changed

• Improve error messages when asserting shape by @schmoelder in #32
• Add missing dll tests by @ronald-jaepel in #30
• Update coordinate tests to account for removal of singleton dimensions by @schmoelder in #31
• Fix errors of solution not loading if only one UnitOperation was returned by @ronald-jaepel in #28
• Fix parallelization test by @hannahlanzrath in #37
• v1.0.2 by @schmoelder in #33

Full Changelog: v1.0.1...v1.0.2

v1.0.1

v1.0.1 is a bug fix release that re-enables using CADET-Python in parallelized settings. This release allows CADET-Python objects to be pickled and un-pickled, which is required for most parallelized applications.

Bug fixes:

• #25 : Parallelization (e.g. with joblib) no longer causes a PicklingError

v1.0.0

v1.0.0

CADET-Python has long been used as a file-based interface for CADET-Core. With this release, we’re moving to v1.0.0, reflecting its maturity and expanded functionality. This version introduces a C-API for directly reading simulation results from CADET-Core, enhancing data processing efficiency. Future releases will aim to add more features and further refine the interface.

All users are encouraged to upgrade to CADET-Python v1.0.0 to take advantage of these improvements in performance, usability, and code quality.

This release requires Python 3.10+.

Highlights and new features of this release

New Features

• C-API Support: Added functionality to directly interface with CADET-Core, allowing for more efficient result retrieval.
• Autodetect CADET: Enhanced user experience by automating the detection of CADET installation.
• Extended Test Suite: Broadened test coverage to improve stability and ensure reliability.
• Enhanced Documentation: Added comprehensive docstrings and type annotations for improved readability and usability.
• Improved Logging: Enhanced logging to provide better debugging and diagnostic information.
• PEP8 Formatting: Codebase updated to conform to PEP8, improving code quality and readability.

Breaking changes

• Updated cadet.run() Return: cadet.run() now returns an instance of the ReturnInformation class, which includes:
  • return_code: int: Status code for execution.
  • error_message: str: Message describing any errors encountered.
  • log: str: Detailed log of the run.

v0.14.1

Run pipeline on PRs and master/dev branches

PyPi hopefully the pipeline is fixed

v0.14

Updated version number to 0.14

Auto publish to PyPi

Just check if auto-publish to PyPi works

h5py crash

This version limits the version of h5py due to crashes.

PyPi changes

This version has one minor bugfix in it but also will change the name of the package on PyPi and conda.

In order to free up the name CADET the package has been renamed to CADET-Python. This is only a change in the package name and from inside python nothing changes and you can still just

import cadet