Update version to 0.1.0 #8
Workflow file for this run
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| name: Pipeline | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| jobs: | |
| aiida: | |
| runs-on: ubuntu-22.04 | |
| 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: | | |
| conda install -c conda-forge -y aiida-workgraph=0.5.2 | |
| sudo apt-get install -y $(cat apt.txt) | |
| conda env create -n preprocessing -f source/envs/preprocessing.yaml -y | |
| conda env create -n processing -f source/envs/processing.yaml -y | |
| conda env create -n postprocessing -f source/envs/postprocessing.yaml -y | |
| verdi presto --profile-name pwd | |
| echo -e 'from aiida import load_profile\nload_profile()\n\nfrom python_workflow_definition.aiida import load_workflow_json\n\n\nif __name__ == "__main__":\n workgraph = load_workflow_json(file_name="workflow.json")\n workgraph.run()' > test_with_aiida.py | |
| python test_with_aiida.py | |
| jobflow: | |
| runs-on: ubuntu-22.04 | |
| 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: | | |
| conda install -c conda-forge -y jobflow=0.1.19 | |
| sudo apt-get install -y $(cat apt.txt) | |
| conda env create -n preprocessing -f source/envs/preprocessing.yaml -y | |
| conda env create -n processing -f source/envs/processing.yaml -y | |
| conda env create -n postprocessing -f source/envs/postprocessing.yaml -y | |
| echo -e 'from jobflow.managers.local import run_locally\nfrom python_workflow_definition.jobflow import load_workflow_json\n\n\nif __name__ == "__main__":\n flow = load_workflow_json(file_name="workflow.json")\n print(run_locally(flow))' > test_with_jobflow.py | |
| python test_with_jobflow.py | |
| pyiron: | |
| runs-on: ubuntu-22.04 | |
| 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: | | |
| conda install -c conda-forge -y pyiron_base=0.11.11 | |
| sudo apt-get install -y $(cat apt.txt) | |
| conda env create -n preprocessing -f source/envs/preprocessing.yaml -y | |
| conda env create -n processing -f source/envs/processing.yaml -y | |
| conda env create -n postprocessing -f source/envs/postprocessing.yaml -y | |
| echo -e 'from python_workflow_definition.pyiron_base import load_workflow_json\n\n\nif __name__ == "__main__":\n delayed_object_lst = load_workflow_json(file_name="workflow.json")\n print(delayed_object_lst[-1].pull())' > test_with_pyiron.py | |
| python test_with_pyiron.py | |
| cwl: | |
| 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: | | |
| conda install -c conda-forge -y cwltool=3.1.20250110105449 | |
| sudo apt-get install -y $(cat apt.txt) | |
| conda env create -n preprocessing -f source/envs/preprocessing.yaml -y | |
| conda env create -n processing -f source/envs/processing.yaml -y | |
| conda env create -n postprocessing -f source/envs/postprocessing.yaml -y | |
| echo -e 'from python_workflow_definition.cwl import write_workflow\n\n\nif __name__ == "__main__":\n with open("workflow.json") as f:\n content = json.load(f)\n node_lst = []\n for n in content["nodes"]:\n if "name" in n and n["name"] == "source_directory":\n n["value"] = os.path.abspath(n["value"])\n node_lst.append(n)\n content["nodes"] = node_lst\n with open("workflow.json", "w") as f:\n json.dump(content, f)\n write_workflow(file_name="workflow.json")' > test_with_cwl.py | |
| python test_with_cwl.py | |
| cwltool workflow.cwl workflow.yml |