init

.github/ISSUE_TEMPLATE/bug-report.md

@@ -0,0 +1,8 @@
+---
+name: "🐛 Bug Report"
+about: Create a report to help us improve
+title: ''
+labels: bug
+assignees: ''
+
+---

.github/ISSUE_TEMPLATE/feature-request.md

@@ -0,0 +1,8 @@
+---
+name: "🚀 Feature Request"
+about: Suggest an idea for this project
+title: ''
+labels: enhancement
+assignees: ''
+
+---

.github/ISSUE_TEMPLATE/question.md

@@ -0,0 +1,13 @@
+---
+name: "❓Question"
+about: Ask a general question
+title: ''
+labels: question
+assignees: ''
+
+---
+
+## ❔Question
+
+
+## Additional context

.github/PULL_REQUEST_TEMPLATE.md

@@ -0,0 +1,13 @@
+### Description
+
+This PR ...
+
+### Checklist
+
+- [ ] Linked issues (if existing)
+- [ ] Amended changelog.md for large changes (and added myself there as contributor)
+- [ ] Added/modified tests
+- [ ] Used pre-commit hooks when committing to ensure that code is compliant with hooks. Install hooks with `pre-commit install`.
+      To run hooks independent of commit, execute `pre-commit run --all-files`
+
+Thank you for joining. Have fun coding!

.github/workflows/codeql-analysis.yml

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+# This action runs GitHub's industry-leading static analysis engine, CodeQL, against a repository's source code to find security vulnerabilities.
+# https://github.com/github/codeql-action
+
+name: "CodeQL"
+
+on:
+  schedule:
+    - cron: '0 0 27 * *'  # Runs at 00:00 UTC on the 27th of every month
+
+jobs:
+  analyze:
+    name: Analyze
+    runs-on: ubuntu-latest
+
+    strategy:
+      fail-fast: false
+      matrix:
+        language: ['python']
+        # CodeQL supports [ 'cpp', 'csharp', 'go', 'java', 'javascript', 'python' ]
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
+      # Initializes the CodeQL tools for scanning.
+      - name: Initialize CodeQL
+        uses: github/codeql-action/init@v2
+        with:
+          languages: ${{ matrix.language }}
+          # If you wish to specify custom queries, you can do so here or in a config file.
+          # By default, queries listed here will override any specified in a config file.
+          # Prefix the list here with "+" to use these queries and those in the config file.
+          # queries: ./path/to/local/query, your-org/your-repo/queries@main
+
+      # Autobuild attempts to build any compiled languages  (C/C++, C#, or Java).
+      # If this step fails, then you should remove it and run the build manually (see below)
+      - name: Autobuild
+        uses: github/codeql-action/autobuild@v2
+
+      # ℹ️ Command-line programs to run using the OS shell.
+      # 📚 https://git.io/JvXDl
+
+      # ✏️ If the Autobuild fails above, remove it and uncomment the following three lines
+      #    and modify them (or add more) to build your code if your project
+      #    uses a compiled language
+
+      #- run: |
+      #   make bootstrap
+      #   make release
+
+      - name: Perform CodeQL Analysis
+        uses: github/codeql-action/analyze@v2

.github/workflows/lint.yml

@@ -0,0 +1,70 @@
+name: Lint
+
+on:
+  push:
+    branches: [master, main, dev]
+  pull_request:
+    branches: [master, main]
+
+jobs:
+  linter-black:
+      name: Check code formatting with Black
+      runs-on: ubuntu-latest
+      steps:
+        - name: Checkout
+          uses: actions/checkout@v2
+        - name: Set up Python 3.8
+          uses: actions/setup-python@v2
+          with:
+            python-version: 3.8
+        - name: Install Black
+          run: pip install black[jupyter]
+        - name: Run Black
+          run: black --check .
+
+  imports-check-isort:
+    name: Check valid import formatting with isort
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v2
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+      - name: Install isort
+        run: pip install isort==5.6.4
+      - name: Run isort
+        run: isort --check-only --diff .
+
+  linter-flake8:
+    name: Check valid formatting with flake8
+    runs-on: ubuntu-latest
+    timeout-minutes: 10
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+
+      - name: Install dependencies
+        run: pip install flake8==3.9.2
+      - name: Run checks
+        run: flake8
+
+  pre-commit-hooks:
+    name: Check that pre-commit hooks pass
+    runs-on: ubuntu-latest
+    timeout-minutes: 10
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+      - name: Install dependencies
+        run: pip install pre-commit
+
+      - name: Run checks
+        run: pre-commit run --all-files

.github/workflows/pypi_release.yml

@@ -0,0 +1,39 @@
+# This workflows will upload a Python Package using Twine when a release is created
+# For more information see: https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+
+name: PyPi Release
+
+on:
+  push:
+    branches: [main]
+  release:
+    types: [created]
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: '3.8'
+
+      - name: Install poetry
+        shell: bash
+        run: |
+          curl -sSL https://install.python-poetry.org | python3 -
+          python -m pip install poetry-dynamic-versioning[plugin]
+
+      - name: Set poetry path variable
+        run: echo "/Users/runner/.local/bin" >> $GITHUB_PATH
+
+      - name: Build
+        run: |
+          poetry build
+
+      - name: Publish distribution 📦 to PyPI
+        if: startsWith(github.event.ref, 'refs/tags') || github.event_name == 'release'
+        run: |
+          poetry publish --username "${{ secrets.PYPI_USERNAME }}" --password "${{ secrets.PYPI_PASSWORD }}"

.github/workflows/test.yml

@@ -0,0 +1,125 @@
+# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
+# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
+
+name: Test
+
+on:
+  push:
+    branches: [master, main, dev]
+  pull_request:
+    branches: [master, main, dev]
+
+jobs:
+  build:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-latest, macOS-latest] # add windows-2019 when poetry allows installation with `-f` flag
+        python-version: [3.8, 3.9] # python 3.9 is not supported by all dependencies yet
+
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v2
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Get full Python version
+        id: full-python-version
+        shell: bash
+        run: echo ::set-output name=version::$(python -c "import sys; print('-'.join(str(v) for v in sys.version_info))")
+
+      - name: Install poetry
+        shell: bash
+        run: |
+          curl -sSL https://install.python-poetry.org | python3 -
+      - name: Set poetry path variable
+        run: echo "/Users/runner/.local/bin" >> $GITHUB_PATH
+
+      - name: Configure poetry
+        shell: bash
+        run: poetry config virtualenvs.in-project true
+
+      - name: Set up cache
+        uses: actions/cache@v2
+        id: cache
+        with:
+          path: .venv
+          key: venv-${{ runner.os }}-${{ steps.full-python-version.outputs.version }}-${{ hashFiles('**/poetry.lock') }}
+
+      - name: Ensure cache is healthy
+        if: steps.cache.outputs.cache-hit == 'true'
+        shell: bash
+        run: poetry run pip --version >/dev/null 2>&1 || rm -rf .venv
+
+      - name: Upgrade pip
+        shell: bash
+        run: poetry run python -m pip install pip -U
+
+      - name: Install dependencies
+        shell: bash
+        run: poetry install --no-interaction --no-root
+
+      - name: Run unittest
+        shell: bash
+        run: poetry run coverage run -m unittest discover -s ./tests  -p 'test_*.py'
+
+      - name: Statistics
+        if: success()
+        run: |
+          poetry run coverage report -i
+          poetry run coverage xml -i
+
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v3
+        if: always()
+        continue-on-error: true
+        with:
+          token: ${{ secrets.CODECOV_TOKEN }}
+          file: coverage.xml
+          flags: cpu, unittest
+          name: CPU-coverage
+          fail_ci_if_error: false
+
+  docs:
+    name: Test docs build
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Check out Git repository
+        uses: actions/checkout@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v1
+        with:
+          python-version: 3.8
+
+      - name: Cache pip
+        uses: actions/cache@v2
+        with:
+          path: ~/.cache/pip
+          key: ${{ runner.os }}-pip-${{ hashFiles('docs/requirements_docs.txt') }}
+          restore-keys: |
+            ${{ runner.os }}-pip-
+
+      - name: Install dependencies
+        run: |
+          sudo apt-get update && sudo apt-get install -y pandoc
+          python -m pip install --upgrade pip
+          pip install -r docs/requirements_docs.txt
+        shell: bash
+
+      - name: Build sphinx documentation
+        run: |
+          cd docs
+          make clean
+          make html --debug --jobs 2 SPHINXOPTS="-W"
+
+      - name: Upload built docs
+        uses: actions/upload-artifact@v2
+        with:
+          name: docs-results-${{ runner.os }}-${{ matrix.python-version }}-${{ matrix.requires }}
+          path: docs/build/html/
+        # Use always() to always run this step to publish test results when there are test failures
+        if: success()