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Fix aiida.yml
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.github/workflows/aiida.yml

Lines changed: 5 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -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
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- 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
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- name: Tests
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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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