Release 0.11.0

0.11.0 - 2023-09-08

Added

• Typos to pre-commit.
• pydantic-settings packages as part of pydantic v1 -> v2 upgrade.
• Added x-max_batch_inputs to OpenAPI schema so clients can query the max number of inputs they can send in a list.

Changed

• Removed QCElemental models in favor of qcio.
• Upgraded from pydantic v1 -> v2.
• Updated BigChem to latest version 0.5.x and running jobs on the premise that exceptions will be raised by failed tasks.
• Api prefix updated from /api/v1/ -> /api/v2/
• /compute/results/ updated to /compute/output/ to more closely match qcop nomenclature of "inputs" and "outputs."
• Now returning the celery state directly as the result.status value. Need to decide how to handle status and result returning in the future (I think it can be significantly simplified), but for now this setup works.
• Always install the latest version of poetry in the docker image.
• Build BigChem in /opt.

Removed

• mypy.ini and setup.cfg and moved all configuration to pyproject.toml.
• flake8 in favor of ruff.
• compute-procedure endpoint as it's not longer needed with qcio.
• Dropped git, python3-dev, and gcc from main docker image since psutil is no longer required (was required by qcengine)