Update .github/workflows/python-package-conda.yml and add scikit-lear…

…n in environment.yml

.github/workflows/python-package-conda.yml

@@ -10,6 +10,9 @@ jobs:
 
     steps:
     - uses: actions/checkout@v2
+    - uses: actions/setup-node@v3
+      with:
+        node-version: '16'  
     - name: Set up Python 3.9
       uses: actions/setup-python@v2
       with:
@@ -30,7 +33,7 @@ jobs:
         flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
     - name: Install cell2mol
       run: |
-        python setup.py install
+        pip install .
     - name: Test with pytest
       run: |
         conda install pytest

environment.yml

@@ -204,3 +204,4 @@ dependencies:
     - pyyaml==6.0
     - symgroupy==0.5.10
     - wfnsympy==0.3.5
+    - scikit-learn==1.3.2