Release v1.0.0

[ronald-jaepel]

Open ToDos:

• write release notes

Release notes draft:

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.

This release requires Python 3.9+.

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.

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

[schmoelder]

LGTM

[schmoelder]

let's wait for @lieres' approval, though.