From 40a5a9dd4cbe964844700799ed24c55b1626e766 Mon Sep 17 00:00:00 2001
From: Technici4n <13494793+Technici4n@users.noreply.github.com>
Date: Fri, 20 Dec 2024 09:07:20 +0100
Subject: [PATCH] Pass inputfile as kwarg

---
 src/aiida_dftk/calculations.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/aiida_dftk/calculations.py b/src/aiida_dftk/calculations.py
index e25b5b7..38a9ce8 100644
--- 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,
             ),