[WIP] Support AmSC IRI API

dashboard.Dockerfile

@@ -7,8 +7,17 @@ WORKDIR /app/dashboard
 # Silence pip error to install in root dirs
 ENV PIP_ROOT_USER_ACTION=ignore
 
+# Spin assigns a random UID with no usable home directory. Pre-create
+# ~/.amsc as world-writable+sticky so the runtime UID can write to it.
+RUN mkdir -p /app/dashboard/.amsc && chmod 1777 /app/dashboard/.amsc
+
 # Install any needed packages specified in the environment file
 COPY dashboard/environment-lock.yml /app/dashboard/environment-lock.yml
+
+# The lock file installs amsc-client from this local source URL. Pass it with:
+#   --build-context amsc-client-src=/path/to/amsc-python-client
+COPY --from=amsc-client-src / /home/edoardo/src/amsc-python-client
+
 RUN conda install -c conda-forge conda-lock \
     && conda-lock install --name synapse-gui environment-lock.yml \
     && conda clean --all -y

dashboard/README.md

@@ -155,6 +155,8 @@ Following the instructions at [docs.nersc.gov/services/sfapi/authentication/#cli
 > ```bash
 > python publish_container.py --gui
 > ```
+> By default this expects the locally patched `amsc-python-client` checkout at `../amsc-python-client`.
+> If it lives elsewhere, set `AMSC_CLIENT_SRC=/path/to/amsc-python-client`.
 
 > [!TIP]
 > Prune old, unused images periodically in order to free up space on your machine:
@@ -168,7 +170,8 @@ Following the instructions at [docs.nersc.gov/services/sfapi/authentication/#cli
 
 2. Build the Docker image:
    ```bash
-   docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t synapse-gui -f dashboard.Dockerfile .
+   docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t synapse-gui -f dashboard.Dockerfile \
+     --build-context amsc-client-src="${AMSC_CLIENT_SRC:-../amsc-python-client}" .
    ```
 
 ### Push the Docker container

dashboard/app.py

@@ -17,7 +17,7 @@
 from optimization_manager import OptimizationManager
 from parameters_manager import ParametersManager
 from calibration_manager import SimulationCalibrationManager
-from sfapi_manager import load_sfapi_card
+from hpc_manager import load_hpc_card
 from state_manager import server, state, ctrl, initialize_state
 from error_manager import error_panel, add_error
 from utils import (
@@ -54,8 +54,9 @@ def update(
     reset_parameters=True,
     reset_calibration=True,
     reset_plots=True,
+    reset_execution_modes=True,
     reset_gui_route_home=True,
-    reset_gui_route_nersc=True,
+    reset_gui_route_hpc=True,
     reset_gui_route_chat=True,
     reset_gui_layout=True,
     preloaded_model_manager=None,
@@ -73,9 +74,11 @@ def update(
     )
     # load data
     config_dict = load_config_dict(state.experiment)
-    # derive execution mode from execution_mode in the experiment configuration file
-    execution_mode = config_dict.get("execution_mode") or {}
-    state.model_training_mode = execution_mode.get("ml_training", "local")
+    if reset_execution_modes:
+        # Derive execution mode defaults from the experiment configuration file.
+        execution_mode = config_dict.get("execution_mode") or {}
+        state.model_training_mode = execution_mode.get("ml_training", "local")
+        state.simulation_running_mode = execution_mode.get("simulation", "local")
     state.model_mlflow_tracking_uri = (config_dict.get("mlflow") or {}).get(
         "tracking_uri"
     )
@@ -98,7 +101,10 @@ def update(
         else:
             mod_manager = preloaded_model_manager
         state.model_available = mod_manager.avail()
-        opt_manager = OptimizationManager(mod_manager)
+        if opt_manager is None or reset_gui_route_home:
+            opt_manager = OptimizationManager(mod_manager)
+        else:
+            opt_manager.model = mod_manager
     # reset parameters
     if reset_parameters:
         par_manager = ParametersManager(mod_manager, input_variables)
@@ -108,9 +114,9 @@ def update(
     # reset GUI home route
     if reset_gui_route_home:
         home_route()
-    # reset GUI NERSC route
-    if reset_gui_route_nersc:
-        nersc_route()
+    # reset GUI HPC route
+    if reset_gui_route_hpc:
+        hpc_route()
     # reset GUI chat route
     if reset_gui_route_chat:
         chat_route()
@@ -221,8 +227,9 @@ def reset(**kwargs):
                 reset_parameters=True,
                 reset_calibration=True,
                 reset_plots=True,
+                reset_execution_modes="experiment" in state.modified_keys,
                 reset_gui_route_home=True,
-                reset_gui_route_nersc=False,
+                reset_gui_route_hpc=False,
                 reset_gui_route_chat=False,
                 reset_gui_layout=False,
             )
@@ -239,8 +246,9 @@ def reset(**kwargs):
                 reset_parameters=False,
                 reset_calibration=False,
                 reset_plots=True,
-                reset_gui_route_home=True,
-                reset_gui_route_nersc=False,
+                reset_execution_modes=False,
+                reset_gui_route_home=False,
+                reset_gui_route_hpc=False,
                 reset_gui_route_chat=False,
                 reset_gui_layout=False,
             )
@@ -263,8 +271,9 @@ def reset(**kwargs):
                 reset_parameters=False,
                 reset_calibration=False,
                 reset_plots=True,
+                reset_execution_modes=False,
                 reset_gui_route_home=False,
-                reset_gui_route_nersc=False,
+                reset_gui_route_hpc=False,
                 reset_gui_route_chat=False,
                 reset_gui_layout=False,
             )
@@ -433,16 +442,16 @@ def home_route():
                             ctrl.figure_update = figure.update
 
 
-# NERSC route
-def nersc_route():
-    print("Setting GUI NERSC route...")
-    with RouterViewLayout(server, "/nersc"):
+# HPC route
+def hpc_route():
+    print("Setting GUI HPC route...")
+    with RouterViewLayout(server, "/hpc"):
         with vuetify.VRow():
-            with vuetify.VCol(cols=4):
-                # Superfacility API card
+            with vuetify.VCol(cols=12):
+                # Render both API credential cards
                 with vuetify.VRow():
                     with vuetify.VCol():
-                        load_sfapi_card()
+                        load_hpc_card()
 
 
 # Chat route
@@ -506,11 +515,11 @@ def gui_setup():
                     prepend_icon="mdi-chat",
                     title="AI Assistant",
                 )
-                # NERSC route
+                # HPC route
                 vuetify.VListItem(
-                    to="/nersc",
+                    to="/hpc",
                     prepend_icon="mdi-lan-connect",
-                    title="NERSC API key",
+                    title="HPC Connection",
                 )
         # interactive dialog for simulation plots
         with vuetify.VDialog(

dashboard/entrypoint.sh

@@ -4,5 +4,13 @@
 source /opt/conda/etc/profile.d/conda.sh
 conda activate synapse-gui
 
+# Give dashboard libraries that rely on Path.home() a stable home in Spin.
+export HOME=/app/dashboard
+
+# amsc-client's default Globus token cache is ~/.amsc/credentials.json.
+# Ensure the directory exists at runtime; the Dockerfile created it as
+# mode 1777 so the random UID Spin assigns can write into it.
+mkdir -p "${HOME}/.amsc" 2>/dev/null || true
+
 # Execute the provided command
 exec "$@"