Handle import errors from MACE

janus_core/cli/janus.py

@@ -8,13 +8,18 @@
 from janus_core.cli.geomopt import geomopt
 from janus_core.cli.md import md
 from janus_core.cli.singlepoint import singlepoint
-from janus_core.cli.train import train
 
 app = Typer(name="janus", no_args_is_help=True)
 app.command()(singlepoint)
 app.command()(geomopt)
 app.command()(md)
-app.command()(train)
+# Train not imlpemented in older versions of MACE
+try:
+    from janus_core.cli.train import train
+
+    app.command()(train)
+except NotImplementedError:
+    pass
 
 
 @app.callback(invoke_without_command=True, help="")

janus_core/helpers/train.py

@@ -3,7 +3,10 @@
 from pathlib import Path
 from typing import Optional
 
-from mace.cli.run_train import run as run_train
+try:
+    from mace.cli.run_train import run as run_train
+except ImportError as e:
+    raise NotImplementedError("Please update MACE to use this module.") from e
 from mace.tools import build_default_arg_parser as mace_parser
 import yaml