Skip to content

Commit 1d911ae

Browse files
committed
Add AiiDA profile creation to pyiron and jobflow CI YAML.
1 parent d14048b commit 1d911ae

File tree

2 files changed

+10
-4
lines changed

2 files changed

+10
-4
lines changed

.github/workflows/jobflow.yml

Lines changed: 5 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -18,14 +18,17 @@ jobs:
1818
python-version: "3.12"
1919
environment-file: environment.yml
2020
auto-activate-base: false
21-
- name: Tests
21+
- name: Installation and setup
2222
shell: bash -l {0}
2323
run: |
2424
pip install -e adis_tools
2525
pip install -e python_workflow_definition
2626
conda install -c conda-forge jupyter papermill
2727
export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo
28-
28+
verdi presto --profile-name adis
29+
- name: Tests
30+
shell: bash -l {0}
31+
run: |
2932
papermill universal_simple_to_jobflow.ipynb universal_simple_to_jobflow_out.ipynb -k "python3"
3033
papermill universal_qe_to_jobflow.ipynb universal_qe_to_jobflow_out.ipynb -k "python3"
3134

.github/workflows/pyiron.yml

Lines changed: 5 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -18,14 +18,17 @@ jobs:
1818
python-version: "3.12"
1919
environment-file: environment.yml
2020
auto-activate-base: false
21-
- name: Tests
21+
- name: Installation and setup
2222
shell: bash -l {0}
2323
run: |
2424
pip install -e adis_tools
2525
pip install -e python_workflow_definition
2626
conda install -c conda-forge jupyter papermill
2727
export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo
28-
28+
verdi presto --profile-name adis
29+
- name: Tests
30+
shell: bash -l {0}
31+
run: |
2932
papermill universal_simple_to_pyiron_base.ipynb universal_simple_to_pyiron_base_out.ipynb -k "python3"
3033
papermill universal_qe_to_pyiron_base.ipynb universal_qe_to_pyiron_base_out.ipynb -k "python3"
3134

0 commit comments

Comments
 (0)