Merge Workflows in one Pipeline

.github/workflows/pipeline.yml

@@ -0,0 +1,92 @@
+name: Pipeline
+
+on:
+  push:
+    branches: [ main ]
+  pull_request:
+
+jobs:
+  nfdi4ing:
+    runs-on: ubuntu-22.04
+    steps:
+    - uses: actions/checkout@v4
+    - uses: conda-incubator/setup-miniconda@v3
+      with:
+        auto-update-conda: true
+        python-version: "3.12"
+        environment-file: environment.yml
+        auto-activate-base: false
+    - name: Installation and setup
+      shell: bash -l {0}
+      run: |
+        pip install -e qe_xml_parser
+        pip install -e python_workflow_definition
+        conda install -c conda-forge jupyter papermill
+        verdi presto --profile-name pwd
+        sudo apt-get install -y $(cat apt.txt)
+    - name: Create Additional Conda Environments
+      shell: bash -l {0}
+      run: |
+        conda env create -n preprocessing -f source/envs/preprocessing.yaml -y
+        conda env create -n processing -f source/envs/processing.yaml -y
+        conda env create -n postprocessing -f source/envs/postprocessing.yaml -y
+    - name: Tests
+      shell: bash -l {0}
+      run: |
+        papermill aiida_nfdi.ipynb aiida_nfdi_out.ipynb -k "python3"
+        papermill jobflow_nfdi.ipynb jobflow_nfdi_out.ipynb -k "python3"
+        papermill pyiron_base_nfdi.ipynb pyiron_base_nfdi_out.ipynb -k "python3"
+        papermill universal_workflow_nfdi.ipynb universal_workflow_nfdi_out.ipynb -k "python3"
+
+  quantumespresso:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+    - name: Setup environment
+      shell: bash -l {0}
+      run: tail --lines=+4 environment_qe.yml >> environment.yml
+    - uses: conda-incubator/setup-miniconda@v3
+      with:
+        auto-update-conda: true
+        python-version: "3.12"
+        environment-file: environment.yml
+        auto-activate-base: false
+    - name: Installation and setup
+      shell: bash -l {0}
+      run: |
+        pip install -e qe_xml_parser
+        pip install -e python_workflow_definition
+        conda install -c conda-forge jupyter papermill
+        verdi presto --profile-name pwd
+    - name: Tests
+      shell: bash -l {0}
+      run: |
+        export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo
+        papermill aiida_qe.ipynb aiida_qe_out.ipynb -k "python3"
+        papermill jobflow_qe.ipynb jobflow_qe_out.ipynb -k "python3"
+        papermill pyiron_base_qe.ipynb pyiron_base_qe_out.ipynb -k "python3"
+        papermill universal_workflow_qe.ipynb universal_workflow_qe_out.ipynb -k "python3"
+
+  simple:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+    - uses: conda-incubator/setup-miniconda@v3
+      with:
+        auto-update-conda: true
+        python-version: "3.12"
+        environment-file: environment.yml
+        auto-activate-base: false
+    - name: Installation and setup
+      shell: bash -l {0}
+      run: |
+        pip install -e python_workflow_definition
+        conda install -c conda-forge jupyter papermill
+        verdi presto --profile-name pwd
+    - name: Tests
+      shell: bash -l {0}
+      run: |
+        papermill aiida_simple.ipynb aiida_simple_out.ipynb -k "python3"
+        papermill jobflow_simple.ipynb jobflow_simple_out.ipynb -k "python3"
+        papermill pyiron_base_simple.ipynb pyiron_base_simple_out.ipynb -k "python3"
+        papermill universal_workflow_simple.ipynb universal_workflow_simple_out.ipynb -k "python3"

README.md

@@ -1,4 +1,5 @@
 # Python Workflow Definition
+[![Pipeline](https://github.com/pyiron-dev/python-workflow-definition/actions/workflows/pipeline.yml/badge.svg)](https://github.com/pyiron-dev/python-workflow-definition/actions/workflows/pipeline.yml)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/pyiron-dev/python-workflow-definition/HEAD)
 
 ## Definition