dynamically create test scripts (#3)

* dynamically create test scripts

* fixes

* readme

* add publishing instructions

Author: jan-janssen

.ci_support/test_with_aiida.py

@@ -22,7 +22,7 @@ jobs:
       shell: bash -l {0}
       run: |
         verdi presto --profile-name pwd
-        cp .ci_support/test_with_aiida.py .
+        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:
@@ -40,7 +40,7 @@ jobs:
     - name: Test
       shell: bash -l {0}
       run: |
-        cp .ci_support/test_with_jobflow.py .
+        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:
@@ -58,5 +58,5 @@ jobs:
     - name: Test
       shell: bash -l {0}
       run: |
-        cp .ci_support/test_with_pyiron.py .
+        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

.ci_support/test_with_jobflow.py

@@ -1,10 +1,30 @@
 # Arithmetic Example Workflow
 [![Pipeline](https://github.com/pythonworkflow/example-workflow/actions/workflows/pipeline.yml/badge.svg)](https://github.com/pythonworkflow/example-workflow/actions/workflows/pipeline.yml)
 
-Demonstration for publishing an interoperable workflow based on the Python Workflow Definition. The minimal workflow consists of three files:
+Template repository for publishing an interoperable workflow based on the Python Workflow Definition. 
+
+## Content 
+The minimal workflow consists of three files:
+
+| File              | Explanation                                             |
+|-------------------|---------------------------------------------------------|
+| `environment.yml` | Conda environment for software dependencies             |
+| `workflow.py`     | Python functions representing the nodes of the workflow |
+| `workflow.json`   | Workflow graph consisting of nodes and edges            |
+
+Additional optional files for the publication of the workflow: 
+
+| File                             | Explanation                              |
+|----------------------------------|------------------------------------------|
+| `README.md`                      | Readme file to introduce the workflow    |
+| `.github/workflows/pipeline.yml` | Github Actions to test the workflow      |
+
+## Publish your workflow
+You can publish your workflow in five simple steps:
+* Fork the repository and clone your fork locally.
+* Export your workflow to the Python Workflow Definition using the `python_workflow_definition` Python package, by calling the `write_workflow_json()` function.  
+* Replace the `environment.yml`, `workflow.py` and `workflow.json` in your local folder with the files for your workflow. In addition, you can add additional files if they are required and update the `README.md` to explain your workflow.
+* Commit the files locally using `git add -A` and `git commit -m "add my workflow"`
+* Push your workflow to Github `git push`
+
 
-| File            | Explanation                                             |
-|-----------------|---------------------------------------------------------|
-| environment.yml | Conda environment for software dependencies             |
-| workflow.py     | Python functions representing the nodes of the workflow |
-| workflow.json   | Workflow graph consisting of nodes and edges            |