MCP LAMMPS Server

#!/usr/bin/env python3 """ Basic test script for the MCP LAMMPS server. """ import sys from pathlib import Path # Add src to Python path sys.path.insert(0, str(Path(__file__).parent / "src")) from mcp_lammps.server import LAMMPSServer def test_basic_functionality(): """Test basic server functionality.""" print("Testing MCP LAMMPS Server...") # Create server server = LAMMPSServer() print(f"✅ Server created: {server.name}") print(f"✅ Work directory: {server.work_dir}") # Check components print(f"✅ LAMMPS Interface: {server.lammps_interface is not None}") print(f"✅ Simulation Manager: {server.simulation_manager is not None}") print(f"✅ Data Handler: {server.data_handler is not None}") # Check LAMMPS availability lammps_available = server.lammps_interface.is_available() print(f"✅ LAMMPS Available: {lammps_available}") # Test simulation manager status = server.simulation_manager.get_status() print(f"✅ Simulation Manager Status: {status}") # Test data handler data_status = server.data_handler.get_status() print(f"✅ Data Handler Status: {data_status}") print("\n🎉 Basic functionality test completed successfully!") print("\nNext steps:") print("1. Install LAMMPS to enable full functionality") print("2. Run the full example: python examples/basic_simulation.py") print("3. Test individual tools and features") if __name__ == "__main__": test_basic_functionality()