Pass inputfile as kwarg

aiidaplugins · Dec 20, 2024 · 40a5a9d · 40a5a9d
1 parent f9d32de
commit 40a5a9d
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/aiida_dftk/calculations.py b/src/aiida_dftk/calculations.py
@@ -240,7 +240,7 @@ def prepare_for_submission(self, folder):
         cmdline_params = [
             # Precompilation under MPI generally deadlocks. Make sure everything is already precompiled.
             '--compiled-modules=strict',
-            '-e', 'using AiidaDFTK; AiidaDFTK.run("{}"; allowed_versions="{}")'.format(
+            '-e', 'using AiidaDFTK; AiidaDFTK.run(inputfile="{}", allowed_versions="{}")'.format(
                 self.metadata.options.input_filename,
                 _AIIDA_DFTK_VERSION_SPEC,
             ),