Cleanup Qrisp packaging pipeline

.github/workflows/main.yml

@@ -0,0 +1,48 @@
+name: Main pipeline for linting and testing
+
+on: [push]
+
+jobs:
+  lint:
+    runs-on: ubuntu-latest
+    timeout-minutes: 60
+    steps:
+      - name: Check out
+        uses: actions/checkout@v4
+
+      - name: Set up Python environment
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.10.*"
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e .[dev]
+
+      - name: Run pre-commit
+        # FIXME: Does only run on subset of files since not all files are linted yet
+        run: pre-commit run --files pyproject.toml .pre-commit-config.yaml requirements/* --show-diff-on-failure
+
+  build:
+    runs-on: ubuntu-latest
+    timeout-minutes: 60
+    strategy:
+      matrix:
+        python-version: ["3.10.*"]
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v4
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e .[dev]
+
+      - name: Test with pytest
+        run: pytest

.gitignore

@@ -13,4 +13,4 @@ __pycache__/
 /docuenv/
 /eccvenv/
 /python311venv/
-/multiverseenv/
+/multiverseenv/

.pre-commit-config.yaml

@@ -0,0 +1,18 @@
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: "v5.0.0"
+    hooks:
+      - id: check-case-conflict
+      - id: check-merge-conflict
+      - id: end-of-file-fixer
+      - id: trailing-whitespace
+      - id: check-toml
+      - id: check-yaml
+
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: "v0.12.3"
+    hooks:
+      - id: ruff
+        args: [--exit-non-zero-on-fix, --config=pyproject.toml]
+      - id: ruff-format
+        args: [--config=pyproject.toml]

CONTRIBUTING.md

@@ -0,0 +1,91 @@
+# Contributing to Qrisp
+
+Thank you for your interest in contributing to Qrisp! This guide will help you get started with setting up your development environment and understanding the contribution workflow.
+
+- [Contributing to Qrisp](#contributing-to-qrisp)
+  - [Set up a Python development environment](#set-up-a-python-development-environment)
+    - [uv](#uv)
+    - [Conda](#conda)
+  - [Style and lint](#style-and-lint)
+  - [Testing](#testing)
+  - [Dependency management](#dependency-management)
+  - [License](#license)
+
+## Set up a Python development environment
+
+### uv
+
+For [uv](https://docs.astral.sh/uv/) users, a new virtual environment with required dependencies can be created by running
+
+```bash
+uv sync
+```
+
+Qrisp can then be installed with development dependencies by running
+
+```bash
+uv pip install -e ".[dev]"
+```
+
+### Conda
+
+For [Conda](https://anaconda.org/anaconda/conda) users, a new virtual environment can be created as follows
+
+```bash
+conda create -y -n qrisp-dev python=3.10 pip
+conda activate qrisp-dev
+```
+
+Qrisp can then be installed with development dependencies by running
+
+```bash
+pip install -e ".[dev]"
+```
+
+## Style and lint
+
+Qrisp uses [ruff](https://github.com/astral-sh/ruff) for style checking and linting. The configuration is stored in [pyproject.toml](pyproject.toml). The rules are enforced by using [pre-commit](https://pre-commit.com/). Pre-commit is automatically installed with the `dev` dependencies. It will install [Git hooks](https://git-scm.com/book/en/v2/Customizing-Git-Git-Hooks) defined in [.pre-commit-config.yaml](.pre-commit-config.yaml), and run them automatically when you run `git commit`. Furthermore, the GitHub pipeline is configured to run pre-commit on every push.
+
+To run `pre-commit` manually
+
+```bash
+pre-commit run --show-diff-on-failure
+```
+
+To run `ruff` manually
+
+```bash
+ruff check
+```
+
+## Testing
+
+Tests should be added for every new feature. The tests can be found in the [`tests/`](tests/) folder. For testing the Python library [pytest](https://docs.pytest.org/en/stable/) is used.
+
+To run the tests (use `-s` to print STDOUT)
+
+```bash
+pytest
+```
+
+## Dependency management
+
+Qrisp dependencies are managed with [pip-compile](https://pip-tools.readthedocs.io/en/latest/) to ensure proper pinning of versions. To update the dependencies, modify the input files (e.g., [`requirements/base.in`](requirements/base.in)), and run:
+
+```bash
+pip-compile requirements/base.in -o requirements/base.txt
+```
+
+Since we have different groups of dependencies, e.g. `dev` for development dependencies - depending on base dependencies, we use [layered requirement files](https://pip-tools.readthedocs.io/en/latest/#workflow-for-layered-requirements) for [`requirements/dev.in`](requirements/dev.in).
+
+To update all requirement files:
+
+```bash
+uv pip compile requirements/base.in -o requirements/base.txt
+uv pip compile requirements/dev.in -o requirements/dev.txt
+uv pip compile requirements/iqm.in -o requirements/iqm.txt
+```
+
+## License
+
+By contributing to Qrisp, you agree that your contributions will be licensed under the [Eclipse Public License 2.0](LICENSE).

LICENSE

@@ -261,8 +261,8 @@ No third-party beneficiary rights are created under this Agreement.
 
 Exhibit A - Form of Secondary Licenses Notice
 
-"This Source Code may also be made available under the following 
-Secondary Licenses when the conditions for such availability set forth 
+"This Source Code may also be made available under the following
+Secondary Licenses when the conditions for such availability set forth
 in the Eclipse Public License, v. 2.0 are satisfied: {name license(s),
 version(s), and exceptions or additional permissions here}."
 
@@ -274,4 +274,4 @@ version(s), and exceptions or additional permissions here}."
   file in a relevant directory) where a recipient would be likely to
   look for such a notice.
 
-  You may add additional accurate notices of copyright ownership.
+  You may add additional accurate notices of copyright ownership.

README.md

@@ -40,11 +40,13 @@ pip install qrisp
 Qrisp has been confirmed to work with Python version 3.10, 3.11 & 3.12.
 
 Qrisp is compatible with any QASM-capable quantum backend! If you want to work with IQM quantum computers as a backend, you need to install additional dependencies using
+
 ```bash
 pip install qrisp[iqm]
 ```
 
 ## Documentation
+
 The full documentation, alongside with many tutorials and examples, is available under [Qrisp Documentation](https://www.qrisp.eu/).
 
 ## Shor's Algorithm with Qrisp
@@ -75,6 +77,7 @@ To find out how this can be used to break encryption be sure to check the [tutor
 Qrisp offers much more than just factoring! More examples, like simulating molecules at the quantum level or how to solve the Travelling Salesman Problem, can be found [here](https://www.qrisp.eu/general/tutorial.html).
 
 ## Authors and Citation
+
 Qrisp was mainly devised and implemented by Raphael Seidel, supported by Sebastian Bock, Nikolay Tcholtchev, René Zander, Niklas Steinmann and Matic Petric.
 
 If you have comments, questions or love letters, feel free to reach out to us:
@@ -89,17 +92,16 @@ If you want to cite Qrisp in your work, please use:
 
 ```
 @misc{seidel2024qrisp,
-      title={Qrisp: A Framework for Compilable High-Level Programming of Gate-Based Quantum Computers}, 
+      title={Qrisp: A Framework for Compilable High-Level Programming of Gate-Based Quantum Computers},
       author={Raphael Seidel and Sebastian Bock and René Zander and Matic Petrič and Niklas Steinmann and Nikolay Tcholtchev and Manfred Hauswirth},
       year={2024},
       eprint={2406.14792},
       archivePrefix={arXiv},
       primaryClass={quant-ph},
-      url={https://arxiv.org/abs/2406.14792}, 
+      url={https://arxiv.org/abs/2406.14792},
 }
 ```
 
-
 ## License
-[Eclipse Public License 2.0](https://github.com/fraunhoferfokus/Qrisp/blob/main/LICENSE)
 
+[Eclipse Public License 2.0](https://github.com/eclipse-qrisp/Qrisp/blob/main/LICENSE)

pyproject.toml

@@ -1,12 +1,52 @@
 [build-system]
-requires = [
-    "setuptools>=42",
-    "wheel"
-]
+requires = ["setuptools>=42", "wheel"]
 build-backend = "setuptools.build_meta"
 
-[tool.isort]
-profile = "black"
+[project]
+name = "qrisp"
+version = "0.7.6"
+dynamic = ["dependencies", "optional-dependencies"]
+description = "Qrisp - A high level language for gate-based quantum computing"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: Eclipse Public License 2.0 (EPL-2.0)",
+    "Operating System :: OS Independent",
+]
+requires-python = ">=3.10"
+readme = "README.md"
+license = {file = "LICENSE"}
+[[project.authors]]
+name = "The Qrisp team"
+email = "[email protected]"
+
+[project.urls]
+homepage = "https://www.qrisp.eu/"
+source = "https://github.com/eclipse-qrisp/Qrisp"
+issues = "https://github.com/eclipse-qrisp/Qrisp/issues"
+
+[tool.ruff]
+line-length = 88
+
+[tool.ruff.lint]
+select = [
+    # isort
+    "I",
+    # ruff
+    "RUF",
+    # pycodestyle
+    "E", "W",
+    # flake8-bugbear
+    "B",
+    # flake8-simplify
+    "SIM",
+]
+ignore = ["E203"]
+
+[tool.setuptools.dynamic.dependencies]
+file = "requirements/base.txt"
+
+[tool.setuptools.dynamic.optional-dependencies.dev]
+file = "requirements/dev.txt"
 
-[tool.pylint. messages_control]
-disable = ["import-error"]
+[tool.setuptools.dynamic.optional-dependencies.iqm]
+file = "requirements/iqm.txt"