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

CADET feature support

Support some new CADET features currently in testing without changing the API

Locking

This version now optionally allows the files to be locked during reading or writing using the python filelock library. This is important when reading and writing hdf5 files that could potentially be read or written to by parallel processes.

Loading subpaths

This release fixes a problem with loading subpaths