v1.1.0

What's Changed

• Allow serialization of h5 files with Nones by @ronald-jaepel in #48
• Change load and run interface by @ronald-jaepel in #51
• Update CI to other OS and use Conda by @hannahlanzrath in #53
• Add version property by @schmoelder in #55

Full Changelog: v1.0.4...v1.1.0

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.