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

Author: choglass

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

@@ -10,9 +10,6 @@ jobs:
 
     steps:
     - uses: actions/checkout@v2
-    - uses: actions/setup-node@v2
-      with:
-        node-version: '16'  
     - name: Set up Python 3.9
       uses: actions/setup-python@v2
       with:
@@ -22,6 +19,9 @@ jobs:
         # $CONDA is an environment variable pointing to the root of the miniconda directory
         echo $CONDA/bin >> $GITHUB_PATH
     - name: Install dependencies
+      uses: actions/setup-node@v3
+      with:
+        node-version: ${{ matrix.node-version }}
       run: |
         conda env update --file environment.yml --name base
     - name: Lint with flake8

cell2mol/c2m_module.py

@@ -293,7 +293,7 @@ def assign_spin (cell: object, debug: int=0) -> object:
                         else:
                             lig.magnetism(2) 
 
-                    if debug >= 1: print(f"{mol.type=}, {mol.formula=}, {mol.spin=} {spin_rf=}")
+                    if debug >= 1: print(f"{mol.type=}, {mol.formula=}, {mol.spin=}")
                     if debug >= 1: print(f"{met.label=} {met.hapticity=} {met.hapttype=} {met.geometry=} {met.coordination_number=} {met.coordinating_atoms=}")
 
                 #elif (period == 5 or period == 6 ) and (d_elec in [2, 3] and met.hapticity == False) :