Basis optimization CLI

src/sisl_toolbox/siesta/atom/_register_cli.py

@@ -9,6 +9,7 @@
 
 from ._atom import atom_plot
 
+# TODO once 3.10 hits, use `sys.orig_argv[0]` which is non-writeable
 _script = Path(sys.argv[0]).name
 
 
@@ -19,7 +20,7 @@
 
     title = "Plotting facility for atom output (run in the atom output directory)"
     if is_sub:
         global _script
         _script = f"{_script} atom-plot"
         p = subp.add_parser("atom-plot", description=title, help=title, **parser_kwargs)
     else:

src/sisl_toolbox/siesta/minimizer/_register_cli.py

@@ -29,10 +29,11 @@
     subp = p.add_subparsers(title="Commands")
 
     get_argparse_parser(
-        optimize_basis, name="optim", subp=subp, parser_kwargs=parser_kwargs
+        write_basis_to_yaml, name="build", subp=subp, parser_kwargs=parser_kwargs
     )
+    parser_kwargs["aliases"] = ("optim",)
     get_argparse_parser(
-        write_basis_to_yaml, name="build", subp=subp, parser_kwargs=parser_kwargs
+        optimize_basis, name="optimize", subp=subp, parser_kwargs=parser_kwargs
     )