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1 parent 707694f commit d14048bCopy full SHA for d14048b
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.github/workflows/aiida.yml
@@ -18,16 +18,17 @@ jobs:
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python-version: "3.12"
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environment-file: environment.yml
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auto-activate-base: false
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- - name: Create AiidA profile
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- run: verdi presto --profile-name adis
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- - name: Tests
+ - name: Installation and setup
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shell: bash -l {0}
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run: |
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pip install -e adis_tools
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pip install -e python_workflow_definition
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conda install -c conda-forge jupyter papermill
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export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo
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-
+ verdi presto --profile-name adis
+ - name: Tests
+ shell: bash -l {0}
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+ run: |
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papermill universal_simple_to_aiida.ipynb universal_simple_to_aiida_out.ipynb -k "python3"
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papermill universal_qe_to_aiida.ipynb universal_qe_to_aiida_out.ipynb -k "python3"
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