MolMIM MCP Server

#!/bin/bash set -e # MolMIM MCP Server Entrypoint Script # This script handles environment variable validation and server startup echo "=== MolMIM MCP Server Entrypoint ===" echo "Environment:" echo " MOLMIM_BASE_URL: ${MOLMIM_BASE_URL:-not set}" echo " MCP_TRANSPORT: ${MCP_TRANSPORT:-stdio}" echo " MCP_HOST: ${MCP_HOST:-127.0.0.1}" echo " MCP_PORT: ${MCP_PORT:-8001}" echo " PYTHONUNBUFFERED: ${PYTHONUNBUFFERED:-not set}" echo "" # Validate required environment variables if [ -z "$MOLMIM_BASE_URL" ]; then echo "ERROR: MOLMIM_BASE_URL environment variable is required for Docker deployment" echo "Please set MOLMIM_BASE_URL to point to your MolMIM server" echo "Example: docker run -e MOLMIM_BASE_URL=http://your-server:8000 molmim-mcp" exit 1 fi # Set default values for optional environment variables export MCP_TRANSPORT=${MCP_TRANSPORT:-stdio} export MCP_HOST=${MCP_HOST:-127.0.0.1} export MCP_PORT=${MCP_PORT:-8001} export PYTHONUNBUFFERED=${PYTHONUNBUFFERED:-1} # Set up virtual display for headless environments (for RDKit visualization) export DISPLAY=${DISPLAY:-:99} if [ "$DISPLAY" = ":99" ]; then echo "Setting up virtual display for headless environment..." # Start Xvfb in the background Xvfb :99 -screen 0 1024x768x24 > /dev/null 2>&1 & XVFB_PID=$! echo "Started Xvfb with PID: $XVFB_PID" # Give Xvfb a moment to start sleep 1 fi # Build command arguments based on transport CMD_ARGS=("python" "server.py") if [ "$MCP_TRANSPORT" != "stdio" ]; then CMD_ARGS+=("--transport" "$MCP_TRANSPORT") CMD_ARGS+=("--host" "$MCP_HOST") CMD_ARGS+=("--port" "$MCP_PORT") fi # Add MolMIM URL if provided if [ -n "$MOLMIM_BASE_URL" ]; then CMD_ARGS+=("--molmim-url" "$MOLMIM_BASE_URL") fi # Add verbose flag if requested if [ "$VERBOSE" = "true" ] || [ "$VERBOSE" = "1" ]; then CMD_ARGS+=("--verbose") fi echo "Starting MolMIM MCP Server with command:" echo " ${CMD_ARGS[*]}" echo "" # Execute the command exec "${CMD_ARGS[@]}"