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Merge pull request #162 from EasyScience/develop
New release
2 parents 4ac161b + 481f0e1 commit fcb138d

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‎.github/dependabot.yml

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version: 2
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updates:
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- package-ecosystem: pip
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directory: /
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schedule:
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interval: daily
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open-pull-requests-limit: 10
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target-branch: develop
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labels:
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- dependencies
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- package-ecosystem: pip
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directory: /
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schedule:
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interval: daily
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open-pull-requests-limit: 10
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target-branch: develop
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labels:
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- dependencies

‎.github/release-drafter.yml

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name-template: 'EasyDiffraction $RESOLVED_VERSION'
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tag-template: 'v$RESOLVED_VERSION'
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categories:
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- title: 'Added'
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labels: # Labels to use to categorize a pull request as a feature
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- 'enhancement'
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- title: 'Fixed'
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labels: # Labels to use to categorize a pull request as a bug fix
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- 'bug'
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- title: 'Changed'
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labels: # Labels to use to categorize a pull request as a maintenance task
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- 'chore'
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- 'documentation'
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- 'refactor'
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- title: 'Added'
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labels: # Labels to use to categorize a pull request as a feature
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- 'enhancement'
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- title: 'Fixed'
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labels: # Labels to use to categorize a pull request as a bug fix
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- 'bug'
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- title: 'Changed'
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labels: # Labels to use to categorize a pull request as a maintenance task
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- 'chore'
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- 'documentation'
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- 'refactor'
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change-template: '- $TITLE (#$NUMBER)'
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change-title-escapes: '\<*_&' # You can add # and @ to disable mentions, and add ` to disable code blocks.
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version-resolver:

‎.github/workflows/ci-testing.yaml

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# This is the main workflow for testing the code, notebooks and package.
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# It is divided into three jobs:
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# 1. Code-quality:
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# - Check the validity of pyproject.toml
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# - Check code linting
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# - Check code formatting
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# - Check Jupyter notebooks formatting
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# - Check formatting of Markdown, YAML, TOML, etc. files
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# 2. Test-code:
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# - Test the code base and upload coverage to Codecov
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# - Create the Python package
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# - Upload the Python package for the next job
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# 3. Test-package:
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# - Download the Python package from the previous job
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# - Install the downloaded Python package
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# - Test the code base
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# - Check if Jupiter Notebooks run without errors
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name: Test code, notebooks and package
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on:
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# Trigger the workflow on push
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push:
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# Every branch
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branches:
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- '**'
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# But do not run this workflow on creating a new tag starting with 'v', e.g. 'v1.0.3' (see pypi-publish.yml)
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tags-ignore:
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- 'v*'
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# Trigger the workflow on pull request
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pull_request:
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branches:
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- '**'
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# Allows you to run this workflow manually from the Actions tab
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workflow_dispatch:
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# Allow only one concurrent workflow, skipping runs queued between the run in-progress and latest queued.
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# And cancel in-progress runs.
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concurrency:
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group:
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${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
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cancel-in-progress: true
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jobs:
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# Job 1: Check code quality and consistency
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code-quality:
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strategy:
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matrix:
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os: [ubuntu-latest]
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python-version: ['3.12']
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runs-on: ${{ matrix.os }}
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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fetch-depth: '0' # full history with tags to get the version number by versioningit
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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 Python dependencies
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# Install 'validate-pyproject' for checking pyproject.toml
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# Install 'ruff' for code linting and formatting
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# Install 'nbqa' for quality assurance of Jupyter notebooks
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run: pip install 'validate-pyproject[all]' ruff nbqa
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- name: Install npm dependencies
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# Install 'prettier' for code formatting of Markdown, YAML, etc. files
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# Install 'prettier-plugin-toml' plugin for code formatting of TOML files
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run: npm install prettier prettier-plugin-toml --save-dev --save-exact
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# Check the validity of pyproject.toml
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- name: Check validity of pyproject.toml
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id: check_pyproject
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continue-on-error: true
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run: validate-pyproject pyproject.toml
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# Check code linting with Ruff in the project root
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- name: Check code linting
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id: check_code_linting
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continue-on-error: true
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run: ruff check .
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- name: Suggestion to fix code linting issues (for *.py files)
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if: steps.check_code_linting.outcome == 'failure'
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run:
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echo "In project root run 'ruff check . --fix' and commit changes to
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fix issues."
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# Check code formatting with Ruff in the project root
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- name: Check code formatting
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id: check_code_formatting
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continue-on-error: true
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run: ruff format . --check
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- name: Suggestion to fix code formatting issues (for *.py files)
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if: steps.check_code_formatting.outcome == 'failure'
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run:
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echo "In project root run 'ruff format .' and commit changes to fix
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issues."
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# Check Jupyter notebooks with nbQA in the sample directory
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- name: Check Jupyter notebooks formatting
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id: check_notebooks
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continue-on-error: true
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run: nbqa ruff examples/
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- name: Suggestion to fix notebook formatting issues (for *.ipynb files)
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if: steps.check_notebooks.outcome == 'failure'
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run:
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echo "In project root run 'nbqa ruff examples/ --fix' and commit
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changes to fix issues."
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# Check formatting of Markdown, YAML, TOML, etc. files with Prettier in the project root
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- name: Check formatting of Markdown, YAML, TOML, etc. files
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id: check_others_formatting
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continue-on-error: true
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run: npx prettier . --check --config=prettierrc.toml
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- name: Suggestion to fix non-code formatting issues (for *.md, etc.)
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if: steps.check_others_formatting.outcome == 'failure'
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run:
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echo "In project root run 'npx prettier . --write
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--config=prettierrc.toml' and commit changes to fix issues."
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- name: Force fail if any of the previous steps failed
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if: |
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steps.check_pyproject.outcome == 'failure' ||
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steps.check_code_linting.outcome == 'failure' ||
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steps.check_code_formatting.outcome == 'failure' ||
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steps.check_notebooks.outcome == 'failure' ||
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steps.check_others_formatting.outcome == 'failure'
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run: exit 1
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# Job 2: Test code and upload coverage to Codecov.
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test-code:
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needs: code-quality # previous job 'code-quality' need to be finished first
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# current job matrix. if modified, remember to UPDATE the strategy in the next job
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strategy:
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fail-fast: false
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matrix:
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os: [ubuntu-24.04, windows-2022, macos-13, macos-14]
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python-version: ['3.10', '3.11', '3.12']
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runs-on: ${{ matrix.os }}
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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fetch-depth: '0' # full history with tags to get the version number by versioningit
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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: Upgrade package installer for Python
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run: python -m pip install --upgrade pip
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- name: Install Python dependencies
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run: pip install '.[dev,charts]'
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- name: Run Python tests and create coverage report
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run: >
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pytest tests/ --cov=./ --cov-report=xml:coverage/coverage.xml
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--junitxml=./coverage/junit.xml --color=yes -n auto
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#- name: Upload test results to Codecov
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# if: ${{ !cancelled() }}
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# uses: codecov/test-results-action@v1
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# with:
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# files: ./coverage/junit.xml
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# fail_ci_if_error: true # optional (default = false)
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# name: Pytest results
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# token: ${{ secrets.CODECOV_TOKEN }}
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#- name: Upload coverage report to Codecov
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# uses: codecov/codecov-action@v4
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# with:
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# files: ./coverage/coverage.xml
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# env_vars: OS,PYTHON
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# fail_ci_if_error: true # optional (default = false)
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# name: Pytest coverage
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# token: ${{ secrets.CODECOV_TOKEN }}
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# env:
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# OS: ${{ matrix.os }}
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# PYTHON: ${{ matrix.python-version }}
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- name: Create Python package
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run: python -m build --wheel --outdir dist
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- name:
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Upload zipped Python package (with tests and examples) for next job
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uses: actions/upload-artifact@v4
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with:
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name:
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EasyDiffractionLib_py${{ matrix.python-version }}_${{ matrix.os
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}}_${{ runner.arch }}
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path: |
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dist/*.whl
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tests/
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examples/
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if-no-files-found: 'error'
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compression-level: 0
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# Job 3: Test the package
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test-package:
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needs: test-code # the previous job needs to be finished first
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strategy:
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fail-fast: false
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matrix:
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os: [ubuntu-24.04, windows-2022, macos-13, macos-14]
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python-version: ['3.10', '3.11', '3.12']
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runs-on: ${{ matrix.os }}
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steps:
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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: ${{ matrix.python-version }}
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- name: Upgrade package installer for Python
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run: python -m pip install --upgrade pip
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- name:
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Download zipped Python package (with tests and examples) from previous
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job
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uses: actions/download-artifact@v4
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with: # name or path are taken from the upload step of the previous job
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name:
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EasyDiffractionLib_py${{ matrix.python-version }}_${{ matrix.os
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}}_${{ runner.arch }}
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path: . # directory to extract downloaded zipped artifacts
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# The local version must be higher than the PyPI version for pip to
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# prefer the local version. So, after a new release and a new tag,
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# remember to merge the master branch with the develop branch,
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# and then create a new feature branch from the develop branch.
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- name: Install Python package from previous job with 'dev' extras
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run: pip install 'easydiffraction[dev]' --find-links=dist
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- name: Run Python tests
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run: >
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pytest tests/ --color=yes -n auto
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- name: Check if Jupiter Notebooks run without errors
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shell: bash
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run: >
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pytest --nbmake examples/ --ignore-glob='examples/*emcee*'
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--nbmake-timeout=300 --color=yes -n=auto

‎.github/workflows/delete-old-runs.yml

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# Allows you to run this workflow manually from the Actions tab
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workflow_dispatch:
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inputs:
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days:
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description: 'Number of days.'
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required: true
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default: 6
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delete_workflow_pattern:
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description: 'The name or filename of the workflow. if not set then it will target all workflows.'
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description:
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'The name or filename of the workflow. if not set then it will target
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all workflows.'
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required: false
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delete_workflow_by_state_pattern:
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description: 'Remove workflow by state: active, deleted, disabled_fork, disabled_inactivity, disabled_manually'
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description:
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'Remove workflow by state: active, deleted, disabled_fork,
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disabled_inactivity, disabled_manually'
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required: true
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default: "All"
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default: 'All'
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type: choice
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options:
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- "All"
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- 'All'
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- active
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- deleted
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- disabled_inactivity
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- disabled_manually
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delete_run_by_conclusion_pattern:
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description: 'Remove workflow by conclusion: action_required, cancelled, failure, skipped, success'
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description:
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'Remove workflow by conclusion: action_required, cancelled, failure,
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skipped, success'
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required: true
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default: "All"
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default: 'All'
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type: choice
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options:
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- "All"
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- 'All'
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- action_required
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- cancelled
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- failure
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jobs:
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del-runs:
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runs-on: ubuntu-latest
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permissions:
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repository: ${{ github.repository }}
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retain_days: ${{ github.event.inputs.days }}
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keep_minimum_runs: ${{ github.event.inputs.minimum_runs }}
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delete_workflow_pattern: ${{ github.event.inputs.delete_workflow_pattern }}
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delete_workflow_by_state_pattern: ${{ github.event.inputs.delete_workflow_by_state_pattern }}
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delete_run_by_conclusion_pattern: ${{ github.event.inputs.delete_run_by_conclusion_pattern }}
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delete_workflow_pattern:
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${{ github.event.inputs.delete_workflow_pattern }}
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delete_workflow_by_state_pattern:
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${{ github.event.inputs.delete_workflow_by_state_pattern }}
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delete_run_by_conclusion_pattern:
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${{ github.event.inputs.delete_run_by_conclusion_pattern }}
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dry_run: ${{ github.event.inputs.dry_run }}

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