Add optional testing requirements

.github/workflows/pipeline.yml

@@ -15,10 +15,29 @@ jobs:
         python-version: ["3.8", "3.9", "3.10", "3.11"]
     steps:
     - uses: actions/checkout@v3
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v4
+
+    - name: Get Date
+      id: get-date
+      run: echo "today=$(/bin/date -u '+%Y%m%d')" >> $GITHUB_OUTPUT
+      shell: bash
+
+    - name: Setup Conda Environment
+      uses: conda-incubator/setup-miniconda@v3
       with:
-        python-version: ${{ matrix.python-version }}
+        miniforge-variant: Mambaforge
+        use-mamba: true
+        activate-environment: cadet-process
+        channels: conda-forge,
+
+    - name: Cache conda
+      uses: actions/cache@v3
+      env:
+        # Increase this value to reset cache if environment.yml has not changed
+        CACHE_NUMBER: 0
+      with:
+        path: ${{ env.CONDA }}/envs
+        key: python_${{ matrix.python-version }}-${{ steps.get-date.outputs.today }}-${{ env.CACHE_NUMBER }}
+
     - name: Test Wheel install and import
       run: |
         pip install wheel
@@ -28,5 +47,7 @@ jobs:
         python -c "import cadet; print(cadet.__version__)"
     - name: Test with pytest
       run: |
-        pip install pytest
+        pip install .[testing]
+        mamba install cadet
+        mamba list
         pytest tests --rootdir=tests -m "not slow"

setup.py

@@ -24,5 +24,12 @@
         "License :: OSI Approved :: BSD License",
         "Operating System :: OS Independent",
     ],
+    extras_require={
+        "testing": [
+            "pytest",
+            "matplotlib",
+            "pandas",
+        ],
+    },
     python_requires='>=3.7',
 )