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fix potentials path
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jan-janssen committed Apr 30, 2024
1 parent 248fdba commit 5965d9a
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1 change: 1 addition & 0 deletions .github/workflows/aiida.yml
Original file line number Diff line number Diff line change
Expand Up @@ -24,4 +24,5 @@ jobs:
run: |
pip install -e aiida_qe_basic
conda install -c conda-forge jupyter papermill
export ESPRESSO_PSEUDO=/Users/janssen/Desktop/ADIS2023/espresso/pseudo
papermill aiida.ipynb aiida-out.ipynb -k "python3"
1 change: 1 addition & 0 deletions .github/workflows/jobflow.yml
Original file line number Diff line number Diff line change
Expand Up @@ -24,4 +24,5 @@ jobs:
run: |
pip install -e aiida_qe_basic
conda install -c conda-forge jupyter papermill
export ESPRESSO_PSEUDO=/Users/janssen/Desktop/ADIS2023/espresso/pseudo
papermill jobflow.ipynb jobflow-out.ipynb -k "python3"
1 change: 1 addition & 0 deletions .github/workflows/pyiron.yml
Original file line number Diff line number Diff line change
Expand Up @@ -24,4 +24,5 @@ jobs:
run: |
pip install -e aiida_qe_basic
conda install -c conda-forge jupyter papermill
export ESPRESSO_PSEUDO=/Users/janssen/Desktop/ADIS2023/espresso/pseudo
papermill pyiron_base.ipynb pyiron_base-out.ipynb -k "python3"

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