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1d6741f
enable dependabot version updates for actions
orbeckst f1700b4
manually updated all GH actions
orbeckst f9d6843
update mamba installation
orbeckst e5c8462
increased supported Python version to 3.11
orbeckst d624cfe
switch MDAnalysis/install-mdanalysis installer to conda
orbeckst a9c851d
Merge branch 'main' into enable-dependabot
orbeckst 4ce6f3f
GH CI workflow: avoid anaconda channel
orbeckst 8a94a07
testing updated action from PR https://github.com/MDAnalysis/install-…
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,10 @@ | ||
| # Set update schedule for GitHub Actions | ||
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| version: 2 | ||
| updates: | ||
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| - package-ecosystem: "github-actions" | ||
| directory: "/" | ||
| schedule: | ||
| # Check for updates to GitHub Actions every week | ||
| interval: "weekly" |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
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@@ -30,17 +30,17 @@ jobs: | |
| fail-fast: false | ||
| matrix: | ||
| os: [macOS-latest, ubuntu-latest, windows-latest] | ||
| python-version: ["3.10", "3.11", "3.12", "3.13"] | ||
| python-version: ["3.11", "3.12", "3.13", "3.14"] | ||
| mdanalysis-version: ["latest", "develop"] | ||
| # Manually exclude any combinations of the test matrix that can't be run | ||
| exclude: | ||
| #exclude: | ||
| # The latest release of MDAnalysis only supports up to Python 3.11 | ||
| # so we exclude 3.12 from the test matrix (issue #20) | ||
| - python-version: "3.13" | ||
| mdanalysis-version: "latest" | ||
| #- python-version: "3.12" | ||
| # mdanalysis-version: "latest" | ||
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Member
Author
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. no exclusions needed, remove |
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| steps: | ||
| - uses: actions/checkout@v4 | ||
| - uses: actions/checkout@v7 | ||
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| - name: Build information | ||
| run: | | ||
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@@ -49,7 +49,7 @@ jobs: | |
| ulimit -a | ||
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| - name: setup_micromamba | ||
| uses: mamba-org/setup-micromamba@v2 | ||
| uses: mamba-org/setup-micromamba@v3 | ||
| with: | ||
| environment-file: devtools/conda-envs/test_env.yaml | ||
| environment-name: pathsimanalysis-test | ||
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@@ -61,7 +61,8 @@ jobs: | |
| - conda-forge | ||
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| - name: Install MDAnalysis version | ||
| uses: MDAnalysis/install-mdanalysis@main | ||
| #uses: MDAnalysis/install-mdanalysis@main | ||
| uses: MDAnalysis/install-mdanalysis@44cf01496714f057c094d1e9bad304bf91fc1b17 | ||
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Member
Author
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. This is the action in PR MDAnalysis/install-mdanalysis#16 ; once the PR is merged, this action needs to be changed again. |
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| with: | ||
| version: ${{ matrix.mdanalysis-version }} | ||
| install-tests: true | ||
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@@ -88,7 +89,7 @@ jobs: | |
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| - name: codecov | ||
| if: github.repository == 'MDAnalysis/pathsimanalysis' && github.event_name != 'schedule' | ||
| uses: codecov/codecov-action@v4 | ||
| uses: codecov/codecov-action@v7 | ||
| with: | ||
| file: coverage.xml | ||
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | ||
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@@ -101,10 +102,10 @@ jobs: | |
| runs-on: ubuntu-latest | ||
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| steps: | ||
| - uses: actions/checkout@v4 | ||
| - uses: actions/checkout@v7 | ||
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| - name: Set up Python | ||
| uses: actions/setup-python@v4 | ||
| uses: actions/setup-python@v6 | ||
| with: | ||
| python-version: "3.11" | ||
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@@ -126,10 +127,10 @@ jobs: | |
| runs-on: ubuntu-latest | ||
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| steps: | ||
| - uses: actions/checkout@v4 | ||
| - uses: actions/checkout@v7 | ||
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| - name: Set up Python | ||
| uses: actions/setup-python@v4 | ||
| uses: actions/setup-python@v6 | ||
| with: | ||
| python-version: "3.11" | ||
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I may comment out windows-latest for now until MDAnalysis/install-mdanalysis#14 is resolved.
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Switching the installer for the MDA action to conda seems a workaround.
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works with action from PR MDAnalysis/install-mdanalysis#16 so keep windows-latest