Update app.py

app.py

@@ -5,6 +5,46 @@ import numpy as np
 import gradio as gr
 from ase.io import read, write
 from ase.io.trajectory import Trajectory
+import subprocess, sys
+from pathlib import Path
+
+# === BUILD AND INSTALL LOCAL gradio_molecule3d ===
+try:
+    print("🔧 Building and installing local gradio_molecule3d fork...")
+
+    base_path = Path(__file__).parent
+    local_pkg = base_path / "gradio_molecule3d"
+
+    # Step 1 — gradio cc install
+    subprocess.call(["gradio", "cc", "install"], cwd=local_pkg)
+
+    # Step 2 — gradio cc build
+    subprocess.call(["gradio", "cc", "build"], cwd=local_pkg)
+
+    # Step 3 — pip install generated wheel
+    wheel_path = local_pkg / "dist" / "gradio_molecule3d-0.0.7-py3-none-any.whl"
+    if not wheel_path.exists():
+        print("Wheel not found, listing dist contents:")
+        subprocess.call(["ls", "-R", str(local_pkg / "dist")])
+    subprocess.call(
+        [
+            sys.executable,
+            "-m",
+            "pip",
+            "install",
+            str(wheel_path),
+        ],
+        cwd=base_path.parent,
+    )
+
+    print("gradio_molecule3d built and installed successfully!")
+
+except Exception as e:
+    print(f"Error building gradio_molecule3d: {e}")
+
+# === Import only after it's installed ===
+from gradio_molecule3d import Molecule3D
+
 from gradio_molecule3d import Molecule3D
 from simulation_scripts_orbmol import load_orbmol_model, run_md_simulation, run_relaxation_simulation
 import hashlib