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‎.github/workflows/codecov.yml‎

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name: Gather coverage report and upload to codecov
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on:
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push:
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branches:
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- main
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release:
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types:
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- prereleased
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- published
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workflow_dispatch:
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defaults:
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run:
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shell: bash -l {0}
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jobs:
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coverage:
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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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- 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/run.txt
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conda install --file requirements/test.txt
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python -m pip install -r requirements/pip.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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coverage run -m pytest -vv -s
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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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env:
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CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

‎.github/workflows/docs.yml‎

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name: Build Documentation
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name: Build and Deploy Documentation
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on:
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push:
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branches:
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- main
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- cookie # to be removed during merge to main
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release:
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types:
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- published
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workflow_dispatch:
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defaults:
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run:
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shell: bash -l {0}
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jobs:
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test:
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docs:
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runs-on: ubuntu-latest
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defaults:
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run:
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shell: bash -l {0}
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steps:
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- uses: actions/checkout@v3
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with:
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fetch-depth: 0
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- name: Check out diffpy.pdffit2
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uses: actions/checkout@v4
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- uses: conda-incubator/setup-miniconda@v2
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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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- name: install requirements
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- name: Conda config
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run: >-
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conda install -n build -c conda-forge
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--file requirements/build.txt
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--file requirements/run.txt
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--file requirements/docs.txt
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--quiet --yes
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conda config --set always_yes yes
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--set changeps1 no
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- name: install the package
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run: python -m pip install . --no-deps
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- name: Install diffpy.pdffit2 and build requirements
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run: |
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conda install --file requirements/build.txt
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conda install --file requirements/run.txt
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conda install --file requirements/docs.txt
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python -m pip install -r requirements/pip.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@v3
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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/main.yml‎

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name: CI
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name: Test
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on:
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push:
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branches:
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- main
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- CI
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pull_request:
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workflow_dispatch:
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defaults:
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run:
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shell: bash -l {0}
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jobs:
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miniconda:
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name: Python ${{ matrix.python-version }}, OS ${{ matrix.os }}
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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python-version: ['3.10', '3.11', '3.12']
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os: ["macos-latest", "ubuntu-latest", "windows-latest"]
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validate:
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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@v3
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with:
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repository: diffpy/diffpy.pdffit2
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path: .
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fetch-depth: 0 # avoid shallow clone with no tags
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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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# this uses a marketplace action that sets up miniconda in a way that makes
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# it easier to use. I tried setting it up without this and it was a pain
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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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miniconda-version: "latest"
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activate-environment: test
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# environment.yml file is needed by this action. Because I don't want
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# maintain this but rather maintain the requirements files it just has
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# basic things in it like conda and pip
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auto-update-conda: true
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environment-file: environment.yml
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python-version: ${{ matrix.python-version }}
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auto-activate-base: false
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- name: install diffpy.pdffit2 requirements
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shell: bash -l {0}
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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 config --set always_yes yes --set changeps1 no
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conda config --add channels conda-forge
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conda activate test
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conda install --file requirements/build.txt
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conda install --file requirements/run.txt
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conda install --file requirements/test.txt
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pip install .
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- name: Validate diffpy.pdffit2
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shell: bash -l {0}
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run: |
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conda activate test
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coverage run src/diffpy/pdffit2/tests/run.py
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coverage report -m
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codecov
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python -m pip install -r requirements/pip.txt
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python -m pip install . --no-deps
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# Use this after migrating to pytest
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# - name: Validate diffpy.pdffit2
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# shell: bash -l {0}
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# run: |
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# conda activate test
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# coverage run -m pytest -vv -s
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# coverage report -m
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# codecov
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- name: Validate diffpy.pdffit2
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run: python -m pytest

‎.github/workflows/matrix.yml‎

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name: Matrix test
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on:
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push:
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branches:
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- main
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workflow_dispatch:
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defaults:
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run:
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shell: bash -l {0}
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jobs:
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test:
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name: Python ${{ matrix.python-version }}, OS ${{ matrix.os }}
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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python-version: ['3.10', '3.11', '3.12']
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os: ["macos-latest", "ubuntu-latest", "windows-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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python-version: ${{ matrix.python-version }}
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auto-activate-base: false
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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/run.txt
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conda install --file requirements/test.txt
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python -m pip install -r requirements/pip.txt
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python -m pip install . --no-deps
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- name: Validate diffpy.pdffit2
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run: python -m pytest

‎.github/workflows/pre-commit.yml‎

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