Add mace_convert_dev cli tool to convert between devices

mace/cli/convert_dev.py

@@ -0,0 +1,21 @@
+from argparse import ArgumentParser
+import torch
+
+def main():
+    parser = ArgumentParser()
+    parser.add_argument("--target_device", "-t",
+                        help="device to convert to, usually 'cpu' or 'cuda'", default="cpu")
+    parser.add_argument("--output_file", "-o",
+                        help="name for output model, defaults to model_file.target_device")
+    parser.add_argument("model_file", help="input model file path")
+    args = parser.parse_args()
+
+    if args.output_file is None:
+        args.output_file = args.model_file + "." + args.target_device
+
+    model = torch.load(args.model_file)
+    model.to(args.target_device)
+    torch.save(model, args.output_file)
+
+if __name__ == "__main__":
+    main()

setup.cfg

@@ -42,6 +42,7 @@ console_scripts =
     mace_run_train  =  mace.cli.run_train:main
     mace_prepare_data  =  mace.cli.preprocess_data:main
     mace_finetuning = mace.cli.fine_tuning_select:main
+    mace_convert_dev  =  mace.cli.convert_dev:main
 
 [options.extras_require]
 wandb = wandb
@@ -54,4 +55,4 @@ dev =
     pytest
     pytest-benchmark
     pylint
-schedulefree = schedulefree
+schedulefree = schedulefree