add python workflow definition to conda environment #8
Workflow file for this run
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name: Pipeline | |
on: | |
push: | |
branches: [ main ] | |
pull_request: | |
jobs: | |
aiida: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Conda config | |
run: echo -e "channels:\n - conda-forge\n" > .condarc | |
- uses: conda-incubator/setup-miniconda@v3 | |
with: | |
python-version: "3.12" | |
miniforge-version: latest | |
condarc-file: .condarc | |
environment-file: environment.yml | |
- name: Test | |
shell: bash -l {0} | |
run: | | |
verdi presto --profile-name pwd | |
cp .ci_support/test_with_aiida.py . | |
python test_with_aiida.py | |
jobflow: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Conda config | |
run: echo -e "channels:\n - conda-forge\n" > .condarc | |
- uses: conda-incubator/setup-miniconda@v3 | |
with: | |
python-version: "3.12" | |
miniforge-version: latest | |
condarc-file: .condarc | |
environment-file: environment.yml | |
- name: Test | |
shell: bash -l {0} | |
run: | | |
cp .ci_support/test_with_jobflow.py . | |
python test_with_jobflow.py | |
pyiron: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Conda config | |
run: echo -e "channels:\n - conda-forge\n" > .condarc | |
- uses: conda-incubator/setup-miniconda@v3 | |
with: | |
python-version: "3.12" | |
miniforge-version: latest | |
condarc-file: .condarc | |
environment-file: environment.yml | |
- name: Test | |
shell: bash -l {0} | |
run: | | |
cp .ci_support/test_with_pyiron.py . | |
python test_with_pyiron.py |