Merge pull request #24 from Zhaoli2042/main

try github pytest workflow, currently checks input files in Examples/

.github/workflows/python-test.yml

@@ -0,0 +1,24 @@
+name: Python application test
+
+on: [push, pull_request]
+
+jobs:
+  build:
+
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v2
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: '3.9'  # Specify the Python version
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+
+    - name: Run pytest
+      run: |
+        cd Examples/; pytest # Assuming your tests are in the 'tests' directory

Examples/test_examples.py

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+# test_calculator.py
+import pytest, os
+#from calculator import add
+
+import os
+
+def truthy(value):
+    return bool(value)
+def falsy(value):
+    return not bool(value)
+
+def check_files(directory, filename):
+    # Get all items in the directory
+    items = os.listdir(directory)
+
+    # Loop through each item
+    for item in items:
+        if item.startswith('.') or item.startswith('__'):
+            continue
+        item_path = os.path.join(directory, item)
+
+        # Check if the item is a directory
+        if os.path.isdir(item_path):
+            # Construct the path to the potential simulation.input file
+            simulation_input_path = os.path.join(item_path, filename)
+
+            # Check if simulation.input exists in this directory
+            if not os.path.exists(simulation_input_path): 
+                print(f"Could not find {filename} in {item_path}\n")
+                return False
+    return True
+
+def test_file():
+    current_directory = os.getcwd() + '/'
+    assert  check_files(current_directory, 'simulation.input')
+    assert not check_files(current_directory, 'force_field.def')
+    #assert not check_files(current_directory, 'asdasd.def')

requirements.txt

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+pytest>=6.0