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Merge pull request #308 from volkamerlab/t019-fix-ligand-template
T019: Fix "No template found for residue 444 (03P)"
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.github/workflows/ci.yml

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@@ -72,19 +72,7 @@ jobs:
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shell: bash -l {0}
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run: |
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PYTEST_ARGS="--nbval-lax --current-env --dist loadscope --numprocesses 2"
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# Ignore T019 under Windows, see https://github.com/volkamerlab/teachopencadd/issues/313
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PYTEST_IGNORE_T019="--ignore=teachopencadd/talktorials/T019_md_simulation/talktorial.ipynb"
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# Temporarily ignored notebooks, see https://github.com/volkamerlab/teachopencadd/issues/303
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PYTEST_IGNORE_T008="--ignore=teachopencadd/talktorials/T008_query_pdb/talktorial.ipynb"
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if [ "$RUNNER_OS" != "Windows" ]; then
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# Temporarily ignore T019
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pytest $PYTEST_ARGS teachopencadd/talktorials/ $PYTEST_IGNORE_T008 $PYTEST_IGNORE_T019
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else
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pytest $PYTEST_ARGS teachopencadd/talktorials/ $PYTEST_IGNORE_T008 $PYTEST_IGNORE_T019
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fi
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pytest $PYTEST_ARGS teachopencadd/talktorials/
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format:
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name: Black

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