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‎.github/workflows/lint.yml‎

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name: Linting
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on:
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push:
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branches:
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- main
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pull_request: {}
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workflow_dispatch: {}
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jobs:
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lint:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout QEK
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uses: actions/checkout@v4
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- name: Set up Python 3.10
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uses: actions/setup-python@v5
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with:
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python-version: '3.10'
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- name: Install pre-commit
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run: |
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pip install pre-commit
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pre-commit install
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- name: Check files
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run: |
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pre-commit autoupdate --repo https://github.com/pre-commit/pre-commit-hooks
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pre-commit run --all-files

‎.github/workflows/test.yml‎

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name: Tests
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on:
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push:
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branches:
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- main
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tags:
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- 'v[0-9]+.[0-9]+.[0-9]+'
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pull_request:
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branches:
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- main
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workflow_dispatch: {}
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concurrency:
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group: fast-${{ github.head_ref || github.run_id }}
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cancel-in-progress: true
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jobs:
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test_qek_ubuntu:
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name: Run unit/integration tests (ubuntu)
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runs-on: ubuntu-latest
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strategy:
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matrix:
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python-version: ["3.10", "3.11"]
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steps:
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- name: Checkout QEK
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uses: actions/checkout@v4
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- name: Set up Python ${{ matrix.python-version }}
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uses: actions/setup-python@v5
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with:
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python-version: ${{ matrix.python-version }}
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- name: Install Hatch
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run: |
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pip install hatch
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- name: Run tests
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run: |
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hatch -v run test
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- name: Upload coverage data
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uses: actions/upload-artifact@v4
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with:
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name: "coverage-data"
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path: .coverage.*
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if-no-files-found: ignore
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test_notebook:
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name: Run the Jupyter notebook tutorial (ubuntu)
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runs-on: ubuntu-latest
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strategy:
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matrix:
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python-version: ["3.10", "3.11"]
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steps:
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- name: Checkout QEK
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uses: actions/checkout@v4
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- name: Set up Python ${{ matrix.python-version }}
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uses: actions/setup-python@v5
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with:
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python-version: ${{ matrix.python-version }}
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- name: Install Hatch
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run: |
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pip install hatch
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- name: Copy samples
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run: |
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cp examples/ptcfm_processed_dataset.json .
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- name: Run notebook
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run: |
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hatch run pip install jupyter
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hatch run jupyter execute examples/pipeline.ipynb
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# publish:
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# name: Publish to PyPI
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# if: startsWith(github.ref, 'refs/tags/v')
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# needs: test_qek_ubuntu
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# runs-on: ubuntu-latest
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# permissions:
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# # IMPORTANT: this permission is mandatory for trusted publishing
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# id-token: write
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# steps:
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# - name: Check out Qek
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# uses: actions/checkout@v4
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# with:
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# ref: ${{ github.ref }}
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# - name: Set up Python
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# uses: actions/setup-python@v5
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# with:
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# python-version: "3.10"
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# - name: Install Python dependencies
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# run: |
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# python -m pip install --upgrade pip
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# pip install hatch
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# - name: Build and publish package
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# run: |
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# hatch build
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# - name: Publish to PyPI
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# uses: pypa/gh-action-pypi-publish@release/v1
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# - name: Confirm deployment
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# timeout-minutes: 5
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# run: |
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# VERSION=${GITHUB_REF#refs/tags/v}
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# until pip download qek==$VERSION
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# do
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# echo "Failed to download from PyPI, will wait for upload and retry."
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# sleep 1
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# done
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deploy_docs:
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name: Deploy QEK docs (ubuntu)
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if: startsWith(github.ref, 'refs/tags/v')
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needs: test_qek_ubuntu
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runs-on: ubuntu-latest
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steps:
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- name: Checkout QEK
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uses: actions/checkout@v4
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- name: Install JetBrains Mono font
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run: |
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sudo apt install -y wget unzip fontconfig
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wget https://download.jetbrains.com/fonts/JetBrainsMono-2.304.zip
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unzip JetBrainsMono-2.304.zip -d JetBrainsMono
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mkdir -p /usr/share/fonts/truetype/jetbrains
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cp JetBrainsMono/fonts/ttf/*.ttf /usr/share/fonts/truetype/jetbrains/
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fc-cache -f -v
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- name: Install graphviz
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run: sudo apt-get install -y graphviz
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- name: Set up Python 3.10
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uses: actions/setup-python@v5
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with:
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python-version: '3.10'
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- name: Install Hatch
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run: |
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pip install hatch
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- name: Deploy docs
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run: |
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git config user.name "GitHub Actions"
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git config user.email "actions@github.com"
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git fetch origin gh-pages
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hatch -v run docs:mike deploy --push --update-aliases ${{ github.ref_name }} latest

‎.gitignore‎

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*.DS_Store
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test.png
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*.swp
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.python-version
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# Default ignored files
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/.idea/
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/__pycache__/
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.vscode/
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# Byte-compiled / optimized / DLL files
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__pycache__/
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*.py[cod]
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*$py.class
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# Unit test / coverage reports
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htmlcov/
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.tox/
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.coverage
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.coverage.*
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.cache
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nosetests.xml
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coverage.xml
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*.cover
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.hypothesis/
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.pytest_cache/
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.mypy_cache/
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# Distribution / packaging
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.Python
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*.egg-info/
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.installed.cfg
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*.egg
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build/
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dist/
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# Jupyter Notebook
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.ipynb_checkpoints
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# specific
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.*.db
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*.db
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*.eggs
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*.env
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Pipfile
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runs/
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*venv
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*~
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# Mkdocs
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site/

‎.pre-commit-config.yaml‎

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repos:
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- repo: https://github.com/pre-commit/pre-commit-hooks
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rev: v4.6.0
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hooks:
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- id: trailing-whitespace
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- id: end-of-file-fixer
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- id: check-yaml
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- id: check-added-large-files
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- repo: https://github.com/ambv/black
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rev: 24.8.0
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hooks:
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- id: black
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- repo: https://github.com/charliermarsh/ruff-pre-commit
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rev: "v0.6.2"
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hooks:
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- id: ruff
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args: [--fix]
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- repo: https://github.com/pre-commit/mirrors-mypy
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rev: v1.11.1
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hooks:
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- id: mypy
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exclude: examples|docs

‎LICENSE‎

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PASQAL OPEN-SOURCE SOFTWARE LICENSE AGREEMENT (MIT-derived)
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The author of the License is:
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Pasqal, a Société par Actions Simplifiée (Simplified Joint Stock Company) registered under number 849 441 522 at the Registre du commerce et des sociétés (Trade and Companies Register) of Evry – France, headquartered at 7 rue Leonard de Vinci – 91300 – Massy – France, duly represented by its Président, M. Georges-Olivier REYMOND,
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Hereafter referred to as « the Licensor »
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- Permission is hereby granted, free of charge, to any person obtaining a copy of this software (the “Licensee”) and associated documentation files (the “Software”), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. The Software is “as is”, without warranty of any kind, express or implied, including but not limited to the warranties of merchantability, fitness for a particular purpose and non-infringement. In no event shall the authors or copyright holders be liable for any claim, damages or other liability, whether in an action of contract, tort or otherwise arising from, out of or in connection with the Software or the use or other dealings in the Software.
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- If use of the Software leads to the necessary use of any patent of the Licensor and/or any of its Affiliates (defined as a company owned or controlled by the Licensor), the Licensee is granted a royalty-free license, in any country where such patent is in force, to use the object of such patent; or use the process covered by such patent,
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- Such a patent license is granted for internal research or academic use of the Licensee's, which includes use by employees and students of the Licensee, acting on behalf of the Licensee, for research purposes only.
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- The License is governed by the laws of France. Any dispute relating to the License, notably its execution, performance and/or termination shall be brought to, heard and tried by the Tribunal Judiciaire de Paris, regardless of the rules of jurisdiction in the matter.

‎README.md‎

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# Quantum Evolution Kernel
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A Python library that implements Quantum Evolution Kernel, a method for measuring the
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similarity between graph-structured data, based on the time-evolution of a quantum system.
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It includes an example application in machine learning classification on a bio-chemical dataset.
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For more details about the approach, see https://journals.aps.org/pra/abstract/10.1103/PhysRevA.107.042615
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## Installation
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### Using `hatch`, `uv` or any pyproject-compatible Python manager
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Edit file `pyproject.toml` to add the line
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```toml
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"pasqal-qek"
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```
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to the list of `dependencies`.
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### Using `pip` or `pipx`
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To install the `pipy` package using `pip` or `pipx`
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1. Create a `venv` if that's not done yet
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```sh
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$ python -m venv venv
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```
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2. Enter the venv
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```sh
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$ . venv/bin/activate
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```
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3. Install the package
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```sh
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$ pip install pasqal-qek
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# or
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$ pipx install pasqal-qek
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```
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## Usage
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For the time being, the easiest way to learn how to use this package is to look
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at the [example notebook](examples/pipeline.ipynb).
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See also the [full API documentation](https://pqs.pages.pasqal.com/quantum-evolution-kernel/).
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## Getting in touch
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- [Pasqal Community Portal](https://community.pasqal.com/) (forums, chat, tutorials, examples, code library).
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- [GitHub Repository](https://github.com/pasqal-io/quantum-evolution-kernel) (source code, issue tracker).
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- [Professional Support](https://www.pasqal.com/contact-us/) (if you need tech support, custom licenses, a variant of this library optimized for your workload, your own QPU, remote access to a QPU, ...)

‎backup-repo.git/HEAD‎

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ref: refs/heads/main

‎backup-repo.git/config‎

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[core]
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repositoryformatversion = 0
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filemode = true
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bare = true
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ignorecase = true
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precomposeunicode = true
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[remote "origin"]
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url = https://github.com/pasqal-io/quantum-evolution-kernel
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fetch = +refs/*:refs/*
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mirror = true

‎backup-repo.git/description‎

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Unnamed repository; edit this file 'description' to name the repository.

‎backup-repo.git/hooks/applypatch-msg.sample‎

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#!/bin/sh
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#
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# An example hook script to check the commit log message taken by
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# applypatch from an e-mail message.
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#
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# The hook should exit with non-zero status after issuing an
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# appropriate message if it wants to stop the commit. The hook is
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# allowed to edit the commit message file.
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#
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# To enable this hook, rename this file to "applypatch-msg".
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. git-sh-setup
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commitmsg="$(git rev-parse --git-path hooks/commit-msg)"
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test -x "$commitmsg" && exec "$commitmsg" ${1+"$@"}
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:

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