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Merge pull request #103 from bobleesj/build-doc
Use non-resuable GitHub CI to run Python 3.10, 3.11, 3.12 tests
2 parents 6985866 + 73179b9 commit 183e4ed

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‎.github/workflows/matrix-and-codecov-on-merge-to-main.yml

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workflow_dispatch:
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jobs:
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matrix-coverage:
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uses: Billingegroup/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
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with:
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project: diffpy.pdffit2
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c_extension: true
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headless: false
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secrets:
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CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
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coverage:
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defaults:
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run:
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shell: bash -l {0}
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runs-on: ${{ matrix.os }}
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strategy:
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fail-fast: false
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matrix:
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os: [ubuntu-latest, windows-latest, macos-13, macos-14]
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python-version: ["3.10", "3.11", "3.12"]
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env:
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LATEST_PYTHON_VERSION: "3.12"
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steps:
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- name: Check out diffpy.pdffit2
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uses: actions/checkout@v4
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- name: Initialize miniconda
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uses: conda-incubator/setup-miniconda@v3
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with:
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activate-environment: test
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auto-update-conda: true
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environment-file: environment.yml
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auto-activate-base: false
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python-version: ${{ matrix.python-version }}
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- name: Conda config
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run: >-
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conda config --set always_yes yes
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--set changeps1 no
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- name: Install diffpy.pdffit2 and requirements
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run: |
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conda install --file requirements/conda.txt
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conda install --file requirements/test.txt
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conda install --file requirements/build.txt
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python -m pip install . --no-deps
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- name: Start Xvfb for ubuntu-latest only
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if: matrix.os == 'ubuntu-latest'
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run: |
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sudo apt-get install -y xvfb
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export DISPLAY=:99
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Xvfb :99 -screen 0 1024x768x16 &
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- name: Validate diffpy.pdfffit2
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run: |
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pytest --cov
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coverage report -m
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codecov
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- name: Upload coverage to Codecov
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if: matrix.os == 'ubuntu-latest' && matrix.python-version == env.LATEST_PYTHON_VERSION
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uses: codecov/codecov-action@v4
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env:
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CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

‎.github/workflows/publish-docs-on-release.yml

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name: Deploy Documentation on Release
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on:
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release:
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types: [published]
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workflow_dispatch:
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jobs:
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docs:
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defaults:
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run:
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shell: bash -l {0}
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runs-on: macos-latest
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steps:
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- name: Check out diffpy.pdffit2
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uses: actions/checkout@v4
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with:
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fetch-depth: 0 # Fetches branches and tags
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- name: Initialize miniconda
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uses: conda-incubator/setup-miniconda@v3
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with:
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activate-environment: build
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auto-update-conda: true
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environment-file: environment.yml
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auto-activate-base: false
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python-version: 3.12
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- name: Conda config
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run: >-
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conda config --set always_yes yes
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--set changeps1 no
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- name: Install diffpy.pdffit2 and docs requirements
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run: |
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conda install --file requirements/conda.txt
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conda install --file requirements/docs.txt
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conda install --file requirements/build.txt
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python -m pip install . --no-deps
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- name: build documents
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run: make -C doc html
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- name: Deploy
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uses: peaceiris/actions-gh-pages@v4
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with:
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github_token: ${{ secrets.GITHUB_TOKEN }}
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publish_dir: ./doc/build/html

‎.github/workflows/tests-on-pr.yml

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workflow_dispatch:
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jobs:
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tests-on-pr:
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uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
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with:
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project: diffpy.pdffit2
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c_extension: true
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headless: false
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secrets:
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CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
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validate:
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defaults:
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run:
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shell: bash -l {0}
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runs-on: ubuntu-latest
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steps:
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- name: Check out diffpy.pdffit2
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uses: actions/checkout@v4
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- name: Initialize miniconda
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uses: conda-incubator/setup-miniconda@v3
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with:
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activate-environment: test
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auto-update-conda: true
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environment-file: environment.yml
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auto-activate-base: false
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python-version: 3.12
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- name: Conda config
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run: >-
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conda config --set always_yes yes
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--set changeps1 no
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- name: Install diffpy.pdffit2 and requirements
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run: |
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conda install --file requirements/conda.txt
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conda install --file requirements/test.txt
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conda install --file requirements/build.txt
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python -m pip install . --no-deps
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- name: Validate diffpy.pdffit2
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run: |
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pytest --cov
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coverage report -m
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codecov
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- name: Upload coverage to Codecov
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uses: codecov/codecov-action@v4
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with:
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verbose: true
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fail_ci_if_error: true
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token: ${{ secrets.CODECOV_TOKEN }}

‎news/py313.rst renamed to ‎news/py312.rst

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**Added:**
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* Python 3.13 support
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* Python 3.10, 3.11, 3.12 support
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**Changed:**
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**Removed:**
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* Python 3.10 support
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* Python <= 3.9 support
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**Fixed:**
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‎pyproject.toml

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description = "PDFfit2 - real space structure refinement program."
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keywords = ["PDF", "structure refinement"]
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readme = "README.rst"
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requires-python = ">=3.11, <3.14"
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requires-python = ">=3.10, <3.13"
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classifiers = [
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'Development Status :: 5 - Production/Stable',
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'Environment :: Console',
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'Operating System :: Microsoft :: Windows',
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'Operating System :: POSIX',
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'Operating System :: Unix',
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'Programming Language :: Python :: 3.10',
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'Programming Language :: Python :: 3.11',
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'Programming Language :: Python :: 3.12',
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'Programming Language :: Python :: 3.13',
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'Topic :: Scientific/Engineering :: Physics',
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'Topic :: Scientific/Engineering :: Chemistry',
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]

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