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Merge pull request #11 from molssi-seamm/conda-forge
Internal changes for conda forge
2 parents ef116a5 + 58601cc commit fddb2a4

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‎.github/workflows/BranchCI.yaml

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# GitHub Actions for CI on a branch.
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# This runs on only Linux, running lint checkers, testing and code coverage.
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name: BranchCI
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on:
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push:
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branches-ignore:
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- 'main'
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jobs:
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light-ci:
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name: Lint ubuntu-latest Py3.8
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v1
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- name: Additional info about the build
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shell: bash
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run: |
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uname -a
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df -h
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ulimit -a
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# More info on options: https://github.com/conda-incubator/setup-miniconda
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- uses: conda-incubator/setup-miniconda@v2
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with:
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python-version: 3.8
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environment-file: devtools/conda-envs/test_env.yaml
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activate-environment: test
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auto-update-conda: false
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auto-activate-base: false
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show-channel-urls: true
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- name: Install package
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Run linters
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shell: bash -l {0}
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run: |
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black --check --diff seamm_widgets tests
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flake8 seamm_widgets tests
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- name: Run tests
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shell: bash -l {0}
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run: |
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pytest -v --cov=seamm_widgets --cov-report=xml --color=yes tests/
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- name: CodeCov
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uses: codecov/codecov-action@v1
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with:
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file: ./coverage.xml
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flags: unittests
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name: codecov-ubuntu-latest-py3.8

‎.github/workflows/CI.yaml

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# GitHub Actions for CI on the main branch and pull-requests.
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# This runs lint checkers on Linux, testing and code coverage on all platforms,
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# It also runs as scheduled on Sunday mornings just in case.
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name: CI
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on:
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# GitHub has started calling new repo's first branch "main" https://github.com/github/renaming
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# Existing codes likely still have "master" as the primary branch
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# Both are tracked here to keep legacy and new codes working
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push:
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branches:
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- "master"
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- "main"
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pull_request:
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branches:
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- "master"
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- "main"
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release:
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types: [published]
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branches:
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- "master"
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- "main"
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schedule:
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# Run on master by default Sunday morning at 3:30:
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# Run by default Sunday morning at 3:30:
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# Scheduled workflows run on the latest commit on the default or base branch.
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# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule)
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- cron: "30 3 * * 0"
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jobs:
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lint:
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name: Lint ${{ matrix.os }} Py${{ matrix.python-version }}
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-latest]
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python-version: [3.8]
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name: Lint ubuntu-latest Py3.8
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v1
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- name: Additional info about the build
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shell: bash
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run: |
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uname -a
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df -h
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ulimit -a
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# More info on options: https://github.com/conda-incubator/setup-miniconda
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- uses: conda-incubator/setup-miniconda@v2
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with:
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python-version: ${{ matrix.python-version }}
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python-version: 3.8
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environment-file: devtools/conda-envs/test_env.yaml
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# channels: conda-forge,defaults
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activate-environment: test
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auto-update-conda: false
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auto-activate-base: false
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show-channel-urls: true
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- name: Install package
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Run linters
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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black --check --diff seamm_widgets tests
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flake8 seamm_widgets tests
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yapf --diff --recursive seamm_widgets tests
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test:
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name: Test ${{ matrix.os }} Py${{ matrix.python-version }}
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matrix:
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os: [macOS-latest, ubuntu-latest, windows-latest]
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python-version: [3.7, 3.8]
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steps:
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- uses: actions/checkout@v1
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- name: Additional info about the build
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shell: bash
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run: |
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uname -a
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df -h
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ulimit -a
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# More info on options: https://github.com/conda-incubator/setup-miniconda
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- uses: conda-incubator/setup-miniconda@v2
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with:
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python-version: ${{ matrix.python-version }}
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auto-update-conda: false
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auto-activate-base: false
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show-channel-urls: true
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- name: Install package
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Run tests
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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pytest -v --cov=seamm_widgets --cov-report=xml --color=yes tests/
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file: ./coverage.xml
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flags: unittests
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name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
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deploy:
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name: PyPi ${{ matrix.os }} Py${{ matrix.python-version }}
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# Run only for tagged releases.
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if: github.event_name == 'release' && startsWith(github.ref, 'refs/tags')
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runs-on: ${{ matrix.os }}
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needs: [lint, test]
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strategy:
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matrix:
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os: [ubuntu-latest]
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python-version: [3.8]
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steps:
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- uses: actions/checkout@v1
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- name: Set up Python ${{ matrix.python-version }}
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uses: actions/setup-python@v1
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with:
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python-version: ${{ matrix.python-version }}
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- name: Install package
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Install pypa/build
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run: |
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python -m pip install build --user
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- name: Build a binary wheel and a source tarball
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run: |
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python -m build --sdist --wheel --outdir dist/
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ls -l dist/
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- name: Publish distribution 📦 to Test PyPI
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uses: pypa/gh-action-pypi-publish@master
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with:
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password: ${{ secrets.test_pypi_password }}
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repository_url: https://test.pypi.org/legacy/
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skip_existing: true
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- name: Publish distribution 📦 to PyPI
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uses: pypa/gh-action-pypi-publish@master
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with:
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password: ${{ secrets.pypi_password }}

‎.github/workflows/Docs.yaml

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# GitHub Actions for creating the documentation.
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# Thus runs on Linux only.
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name: Documentation
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on: push
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GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
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shell: bash -l {0}
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run: |
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docs/buildDocs.sh
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devtools/scripts/buildDocs.sh

‎.github/workflows/Release.yaml

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# GitHub Actions for CI on the main branch when a release is published.
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# This runs lint checkers on Linux, testing and code coverage on all platforms,
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# and then deploys to PyPi, running on Linux.
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name: Release
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on:
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release:
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types: [published]
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branches:
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- "main"
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jobs:
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lint:
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name: Lint ubuntu-latest Py3.8
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v1
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- name: Additional info about the build
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shell: bash
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run: |
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uname -a
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df -h
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ulimit -a
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# More info on options: https://github.com/conda-incubator/setup-miniconda
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- uses: conda-incubator/setup-miniconda@v2
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with:
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python-version: 3.8
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environment-file: devtools/conda-envs/release.yaml
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activate-environment: release
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auto-update-conda: false
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auto-activate-base: false
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show-channel-urls: true
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- name: Install package
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# conda setup requires this special shell
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Run linters
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shell: bash -l {0}
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run: |
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black --check --diff seamm_widgets tests
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flake8 seamm_widgets tests
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test:
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name: Test ${{ matrix.os }} Py${{ matrix.python-version }}
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runs-on: ${{ matrix.os }}
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needs: lint
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strategy:
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matrix:
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os: [macOS-latest, ubuntu-latest, windows-latest]
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python-version: [3.7, 3.8]
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steps:
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- uses: actions/checkout@v1
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- name: Additional info about the build
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shell: bash
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run: |
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uname -a
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df -h
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ulimit -a
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- uses: conda-incubator/setup-miniconda@v2
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with:
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python-version: ${{ matrix.python-version }}
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environment-file: devtools/conda-envs/release.yaml
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activate-environment: release
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auto-update-conda: false
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auto-activate-base: false
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show-channel-urls: true
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- name: Install package
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Run tests
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shell: bash -l {0}
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run: |
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pytest -v --cov=seamm_widgets --cov-report=xml --color=yes tests/
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- name: CodeCov
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uses: codecov/codecov-action@v1
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with:
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file: ./coverage.xml
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flags: unittests
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name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
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deploy:
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name: PyPi ubuntu-latest Py3.8
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# Run only for tagged releases publishing development or release candidates
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# only to test.pypi, otherwise to both it and the main pypi.
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if: github.event_name == 'release' && startsWith(github.ref, 'refs/tags')
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runs-on: ubuntu-latest
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needs: [lint, test]
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steps:
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- uses: actions/checkout@v1
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- name: Set up Python 3.8
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uses: actions/setup-python@v1
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with:
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python-version: 3.8
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- name: Install package
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shell: bash -l {0}
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run: |
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python -m pip install . --no-deps
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conda list
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- name: Install pypa/build
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run: |
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python -m pip install build --user
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- name: Build a binary wheel and a source tarball
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run: |
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python -m build --sdist --wheel --outdir dist/
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ls -l dist/
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- name: Publish distribution 📦 to Test PyPI
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uses: pypa/gh-action-pypi-publish@master
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with:
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password: ${{ secrets.test_pypi_password }}
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repository_url: https://test.pypi.org/legacy/
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skip_existing: true
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- name: Publish distribution 📦 to PyPI
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if: contains(github.ref, 'dev') == false && contains(github.ref, 'rc') == false
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uses: pypa/gh-action-pypi-publish@master
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with:
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password: ${{ secrets.pypi_password }}

‎MANIFEST.in

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include HISTORY.rst
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include LICENSE
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include README.rst
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include requirements*
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include versioneer.py
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recursive-include tests *
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recursive-exclude * __pycache__

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