from gradio demo

Dockerfile

@@ -51,18 +51,18 @@ ENV PYTHONPATH="$AMBERHOME/lib/python3.10/site-packages"
 #COPY --chown=user . $HOME/app
 
 
-RUN adduser -u 5678 --disabled-password --gecos "" appuser && chown -R appuser .
-
-USER appuser
-CMD pwd
-CMD ["uvicorn", "main:app", "--host", "0.0.0.0", "--port", "7860"]
-
-#WORKDIR $HOME/app
+#RUN adduser -u 5678 --disabled-password --gecos "" appuser && chown -R appuser .
 #
-## Copy the current directory contents into the container at $HOME/app setting the owner to the user
-#COPY --chown=user . $HOME/app
+#USER appuser
 #
-#CMD ["python", "app.py"]
+#CMD ["uvicorn", "main:app", "--host", "0.0.0.0", "--port", "7860"]
+
+WORKDIR $HOME/app
+
+# Copy the current directory contents into the container at $HOME/app setting the owner to the user
+COPY --chown=user . $HOME/app
+
+CMD ["python", "main.py"]
 
 
 

main.py

@@ -126,25 +126,30 @@ def predict(pdb_code, pdb_file):
 
 callback = gr.CSVLogger()
 
-with gr.Blocks() as demo:
-    gr.Markdown("# Protein Adaptability Prediction")
-    
-    #text_input = gr.Textbox()
-    #text_output = gr.Textbox()
-    #text_button = gr.Button("Flip")
-    inp = gr.Textbox(placeholder="PDB Code or upload file below", label="Input structure")
-    pdb_file = gr.File(label="PDB File Upload")
-    #with gr.Row():
-    #    helix = gr.ColorPicker(label="helix")
-    #    sheet = gr.ColorPicker(label="sheet")
-    #    loop = gr.ColorPicker(label="loop")
-    single_btn = gr.Button(label="Run")
-    with gr.Row():
-        html = gr.HTML()
-    with gr.Row():
-        dataframe = gr.Dataframe()
-            
-    single_btn.click(fn=predict, inputs=[inp, pdb_file], outputs=[html, dataframe])
-
-
-demo.launch(debug=True)
+def run():
+    with gr.Blocks() as demo:
+        gr.Markdown("# Protein Adaptability Prediction")
+        
+        #text_input = gr.Textbox()
+        #text_output = gr.Textbox()
+        #text_button = gr.Button("Flip")
+        inp = gr.Textbox(placeholder="PDB Code or upload file below", label="Input structure")
+        pdb_file = gr.File(label="PDB File Upload")
+        #with gr.Row():
+        #    helix = gr.ColorPicker(label="helix")
+        #    sheet = gr.ColorPicker(label="sheet")
+        #    loop = gr.ColorPicker(label="loop")
+        single_btn = gr.Button(label="Run")
+        with gr.Row():
+            html = gr.HTML()
+        with gr.Row():
+            dataframe = gr.Dataframe()
+                
+        single_btn.click(fn=predict, inputs=[inp, pdb_file], outputs=[html, dataframe])
+
+
+    demo.launch(debug=True)
+
+
+if __name__ == "__main__":
+    run()