Standalone orchestration

install_santis.sh

@@ -0,0 +1,29 @@
+#!/usr/bin/bash -l
+
+if [ $# != 0 ]; then
+    VENV="${1}/.venv"
+    VENV_SQUASHFS="${1}/venv.squashfs"
+    rm -rf ${VENV}
+    mkdir -p ${VENV}
+    ln -s ${VENV} .venv
+else
+    VENV=.venv
+    VENV_SQUASHFS=".venv.squashfs"
+fi
+
+uv venv --relocatable --python="$(which python)" --prompt="༄ sirocco ༄"
+source .venv/bin/activate
+CC=$(which gcc) \
+CFLAGS="-I/user-environment/env/sirocco/include -I/user-environment/env/sirocco/include/graphviz" \
+LDFLAGS="-L/user-environment/env/sirocco/lib -L/user-environment/env/sirocco/lib/graphviz" \
+uv sync --no-cache --link-mode=copy --compile-bytecode --active --no-editable --inexact || exit
+
+mksquashfs ${VENV} ${VENV_SQUASHFS} -no-recovery -noappend -Xcompression-level 3 || exit
+
+rm -rf ${VENV}
+
+if [ -n "${1}" ]; then
+    rsync -av ${VENV_SQUASHFS} .
+    rm -rf ${1}
+fi
+

launch_install_santis.sh

@@ -0,0 +1,8 @@
+#!/usr/bin/bash
+
+BUILD_DIR="/dev/shm/${USER}/sirocco"
+mkdir -p "${BUILD_DIR}"
+uenv run --view sirocco /capstor/store/cscs/userlab/cwd01/leclairm/uenvs/images/sirocco_v0.0.1.sqfs -- ${PWD}/install_santis.sh ${BUILD_DIR}
+# srun --uenv /capstor/store/cscs/userlab/cwd01/leclairm/uenvs/images/sirocco_v0.0.1.sqfs --view sirocco $PWD/install_santis.sh ${BUILD_DIR}
+
+

src/sirocco/cli.py

@@ -1,3 +1,5 @@
+import shutil
+from datetime import datetime
 from pathlib import Path
 from typing import Annotated
 
@@ -7,6 +9,7 @@
 from rich.traceback import install as install_rich_traceback
 
 from sirocco import core, parsing, pretty_print, vizgraph
+from sirocco.core._tasks.sirocco_task import SiroccoContinueTask
 from sirocco.workgraph import AiidaWorkGraph
 
 # --- Typer App and Rich Console Setup ---
@@ -15,12 +18,12 @@
 
 # Create the Typer app instance
 app = typer.Typer(
-    help="Sirocco Weather and Climate Workflow Management Tool.",
+    help="Sirocco Climate and Weather Workflow Management Tool.",
     add_completion=True,
 )
 
 # Create a Rich console instance for printing
-console = Console()
+console = Console(record=True)
 
 
 def _create_aiida_workflow(workflow_file: Path) -> AiidaWorkGraph:
@@ -171,7 +174,7 @@ def represent(
         raise typer.Exit(code=1) from e
 
 
-@app.command(help="Run the workflow in a blocking fashion.")
+@app.command(help="Run the workflow in a blocking fashion. [AiiDA]")
 def run(
     workflow_file: Annotated[
         Path,
@@ -198,7 +201,7 @@ def run(
         raise typer.Exit(code=1) from e
 
 
-@app.command(help="Submit the workflow to the AiiDA daemon.")
+@app.command(help="Submit the workflow to the AiiDA daemon. [AiiDA]")
 def submit(
     workflow_file: Annotated[
         Path,
@@ -229,6 +232,183 @@ def submit(
         raise typer.Exit(code=1) from e
 
 
+@app.command(help="Start a workflow. [standalone]")
+def start(
+    workflow_file: Annotated[
+        Path,
+        typer.Argument(
+            ...,
+            exists=True,
+            file_okay=True,
+            dir_okay=False,
+            readable=True,
+            help="Path to the workflow definition YAML file.",
+        ),
+    ],
+    cleanup: Annotated[  # noqa: FBT002
+        bool,
+        typer.Option(
+            "--cleanup",
+            help="clean up before starting",
+        ),
+    ] = False,
+):
+    console.print(add_now())
+    wf = core.Workflow.from_config_file(workflow_file)
+    if cleanup:
+        console.print(f"▶️ Cleaning up workflow at {wf.config_rootdir} ...")
+        if (run_dir := wf.config_rootdir / wf.RUN_ROOT).exists():
+            shutil.rmtree(run_dir)
+        (wf.config_rootdir / SiroccoContinueTask.SUBMIT_FILENAME).unlink(missing_ok=True)
+        (wf.config_rootdir / SiroccoContinueTask.STDOUTERR_FILENAME).unlink(missing_ok=True)
+    if (wf.config_rootdir / wf.RUN_ROOT).exists():
+        msg = "Workflow already exists, cannot start. Use --cleanup to clean up before starting."
+        raise ValueError(msg)
+    console.print(f"▶️ Starting workflow at {wf.config_rootdir} ...")
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+    try:
+        wf.start()
+        if wf.status == core.workflow.WorkflowStatus.CONTINUE:
+            console.print("✅ Workflow started successfully.")
+        elif wf.status == core.workflow.WorkflowStatus.FAILED:
+            console.print("❌ Workflow start failed")
+    except Exception as e:
+        console.print(f"❌ Workflow start failed: {e}")
+        console.print_exception()
+        raise typer.Exit(code=1) from e
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+
+
+@app.command(help="Restart a stopped workflow. [standalone]")
+def restart(
+    workflow_file: Annotated[
+        Path,
+        typer.Argument(
+            ...,
+            exists=True,
+            file_okay=True,
+            dir_okay=False,
+            readable=True,
+            help="Path to the workflow definition YAML file.",
+        ),
+    ],
+):
+    console.print(add_now())
+    wf = core.Workflow.from_config_file(workflow_file)
+    console.print(f"▶️ Restarting workflow at {wf.config_rootdir} ...")
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+    try:
+        wf.restart()
+        if wf.status == core.workflow.WorkflowStatus.CONTINUE:
+            console.print("✅ Workflow restarted successfully.")
+        elif wf.status == core.workflow.WorkflowStatus.COMPLETED:
+            console.print("✅ Workflow completed!")
+        elif wf.status == core.workflow.WorkflowStatus.RESTART_FAILED:
+            console.print("❌ Workflow restart failed")
+    except Exception as e:
+        console.print(f"❌ Workflow restart failed: {e}")
+        console.print_exception()
+        raise typer.Exit(code=1) from e
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+
+
+@app.command(help="Stop a workflow. [standalone]")
+def stop(
+    workflow_file: Annotated[
+        Path,
+        typer.Argument(
+            ...,
+            exists=True,
+            file_okay=True,
+            dir_okay=False,
+            readable=True,
+            help="Path to the workflow definition YAML file.",
+        ),
+    ],
+    cool_down: Annotated[  # noqa: FBT002
+        bool,
+        typer.Option(
+            "--cool-down",
+            help="Do not cancel currently running tasks",
+        ),
+    ] = False,
+):
+    console.print(add_now())
+    wf = core.Workflow.from_config_file(workflow_file)
+    msg = f"▶️ Stopping workflow at {wf.config_rootdir}"
+    if cool_down:
+        msg += " in cool down mode"
+    msg += " ..."
+    console.print(msg)
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+    try:
+        wf.stop(mode="cool-down" if cool_down else "cancel")
+        if wf.status == core.workflow.WorkflowStatus.STOPPED:
+            console.print("✅ Workflow stopped successfully.")
+        else:
+            console.print("❌ Workflow stop failed")
+    except Exception as e:
+        console.print(f"❌ Workflow stop failed: {e}")
+        console.print_exception()
+        raise typer.Exit(code=1) from e
+    with (wf.config_rootdir / core.SiroccoContinueTask.STDOUTERR_FILENAME).open("a") as logfile:
+        logfile.write(console.export_text(clear=True))
+
+
+@app.command(name="continue", hidden=True)
+def continue_wf(
+    workflow_file: Annotated[
+        Path,
+        typer.Argument(
+            ...,
+            exists=True,
+            file_okay=True,
+            dir_okay=False,
+            readable=True,
+            help="Path to the workflow definition YAML file.",
+        ),
+    ],
+    from_wf: Annotated[  # noqa: FBT002
+        bool,
+        typer.Option(
+            "--from_wf",
+            help="Specify command is executed from a running worflow (as opposed to interactively)",
+        ),
+    ] = False,
+):
+    console.print(add_now())
+    if not from_wf:
+        msg = "Do not use interactively, the continue command is reserved for internal use"
+        raise ValueError(msg)
+    wf = core.Workflow.from_config_file(workflow_file)
+    console.print("▶️ Continue workflow ...")
+    try:
+        wf.continue_wf()
+        if wf.status == core.workflow.WorkflowStatus.CONTINUE:
+            console.print("✅ Workflow continuation submitted successfully.")
+        elif wf.status == core.workflow.WorkflowStatus.COMPLETED:
+            console.print("✅ Workflow completed!")
+        elif wf.status == core.workflow.WorkflowStatus.FAILED:
+            console.print("❌ Workflow failed")
+    except Exception as e:
+        console.print(f"❌ Workflow continuation failed: {e}")
+        console.print_exception()
+        raise typer.Exit(code=1) from e
+
+
+def add_now(width: int = 20) -> str:
+    rule = width * "─"
+    space = width * " "
+    date_str = datetime.now().strftime("%Y-%m-%d %H:%M:%S")  # noqa: DTZ005
+    date_rule = (len(date_str) + 2) * "─"
+    return "\n".join([f"{space}╭{date_rule}╮", f"{rule}┤ {date_str} ├{rule}", f"{space}╰{date_rule}╯"])
+
+
 # --- Main entry point for the script ---
 if __name__ == "__main__":
     app()

src/sirocco/core/__init__.py

@@ -1,4 +1,4 @@
-from ._tasks import IconTask, ShellTask
+from ._tasks import IconTask, ShellTask, SiroccoContinueTask
 from .graph_items import AvailableData, Cycle, Data, GeneratedData, GraphItem, MpiCmdPlaceholder, Task
 from .workflow import Workflow
 
@@ -12,5 +12,6 @@
     "Cycle",
     "ShellTask",
     "IconTask",
+    "SiroccoContinueTask",
     "MpiCmdPlaceholder",
 ]

src/sirocco/core/_tasks/__init__.py

@@ -1,4 +1,5 @@
 from .icon_task import IconTask
 from .shell_task import ShellTask
+from .sirocco_task import SiroccoContinueTask
 
-__all__ = ["IconTask", "ShellTask"]
+__all__ = ["IconTask", "ShellTask", "SiroccoContinueTask"]