Cleanup Qrisp packaging pipeline

[JLenssen]

Overview

Qrisp currently relies on a mix of pyproject.toml and the older setup.cfg for packaging. This PR aims at moving the logic to pyproject.toml which is recommended. Furthermore, the linting configuration is added, we switch to ruff, and enforce the rules via pre-commit.

List of changes

• Add: base requirements, and requirements for CI/CD and optional IQM dependency.
• Add: pip-tools to pin the versions of the requirements above.
• Add: ruff for linting and move config to pyproject.toml.
• Add: Enforcing of linting rules via pre-commit.
• Add: pre-commit format check to CI/CD pipeline (Note: only applies to subset of files at the moment).
• Add: Contribution guide for developers in CONTRIBUTE.md.
• Refactor: qrisp_test.yml, by renaming it to main.yml and adding pre-commit job.
• Remove: .gitlab-ci.yaml as GitLab is no longer used.

Tasks for future PRs

Some necessary tasks were postponed to future PRs to reduce the number of files changed

• Apply linting rules to all files and correct errors thrown by ruff.
• Review when CI/CD pipeline jobs run as they take too long.
• Manage releases via tags instead of version in pyproject.toml by using setuptools-scm and push automatically to PyPI.

[ntchol]

=> The changes to the README file should not only contain an explanation about the IQM module but also about the other available backends

=> The changes to the testing and CI/CD pipeline should be agreed among all contributing partners

=> We should wait with changes to the key processes and code/package management until we have agreed on a governance structure and roadmap... otherwise we will end up in chaos

Governance structure is WiP

Thank you!

[JLenssen]

Hi @ntchol , thanks for reviewing.

=> The changes to the README file should not only contain an explanation about the IQM module but also about the other available backends

Agreed, there are other backends like qunicorn that introduce dependencies (e.g. flask) that would be worth making optional and installable via qrisp[qunicorn]. The exact list of optional dependencies should be discussed.

=> The changes to the testing and CI/CD pipeline should be agreed among all contributing partners

=> We should wait with changes to the key processes and code/package management until we have agreed on a governance structure and roadmap... otherwise we will end up in chaos

Understandable. I'll keep the PR in draft for now and wait for further input. Happy to pick this up when governance structure is set in stone.

I would still recommend pinning the test dependencies as those are currently only documented in the CI pipeline. Happy to open another PR for that.

[positr0nium]

Hi, thanks for the contribution!
As @ntchol mentioned they indeed contain some crucial changes so we should review them carefully. One thing that I'm a bit concerned about are the pre-commit hooks. While I definetely see the advantage, I'm worried that it might create a threshold for newcomers, in-particular because people from quantum information are usually not that experienced in software engineering.
Do you know if it is possible to make them optional, such that we can gather some experience before enforcing them?

[purva-thakre]

minor suggestion: you should add more python versions given that the readme states that Qrisp is compatible with 3.10, 3.11 & 3.12.

[purva-thakre]

I have never used this. What's the motivation behind using timeout in a testing workflow? The unit tests could take longer than 60 minutes, right?

[purva-thakre]

it is better to use inequality dependency specifiers for version syntax rather than ==.

https://packaging.python.org/en/latest/specifications/dependency-specifiers/

If a dependabot workflow is added in the future, == can create excessive dependabot PRs.