Refactor into modular molecular workloads

scimesh/core/workload.py

@@ -0,0 +1,19 @@
+"""Minimal interface implemented by every SciMesh workload."""
+
+from __future__ import annotations
+
+import argparse
+from typing import Protocol
+
+
+class Workload(Protocol):
+    """A workload that can add its CLI and execute from parsed arguments."""
+
+    name: str
+    help: str
+
+    def configure_parser(self, parser: argparse.ArgumentParser) -> None:
+        """Add workload-specific command-line arguments."""
+
+    def run(self, args: argparse.Namespace) -> int:
+        """Execute the workload."""