From df0145e07bebf5acc7b27aaeeaa5bcbc69b92bed Mon Sep 17 00:00:00 2001
From: superstar54 <xingwang1991@gmail.com>
Date: Thu, 5 Dec 2024 01:00:24 +0100
Subject: [PATCH] check if input is required

---
 pyproject.toml                        |  2 +-
 src/aiida_workgraph/decorator.py      |  8 +++++++-
 src/aiida_workgraph/utils/__init__.py | 13 +++++++------
 3 files changed, 15 insertions(+), 8 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index 493fbca6..cd11f0e6 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -28,7 +28,7 @@ dependencies = [
     "numpy~=1.21",
     "scipy",
     "ase",
-    "node-graph==0.1.4",
+    "node-graph==0.1.5",
     "node-graph-widget",
     "aiida-core>=2.3",
     "cloudpickle",
diff --git a/src/aiida_workgraph/decorator.py b/src/aiida_workgraph/decorator.py
index 8cf193c8..ea7dda73 100644
--- a/src/aiida_workgraph/decorator.py
+++ b/src/aiida_workgraph/decorator.py
@@ -356,7 +356,13 @@ def build_shelljob_task(
     nodes = {} if nodes is None else nodes
     keys = list(nodes.keys())
     for key in keys:
-        inputs.append({"identifier": "workgraph.any", "name": f"nodes.{key}"})
+        inputs.append(
+            {
+                "identifier": "workgraph.any",
+                "name": f"nodes.{key}",
+                "metadata": {"required": True},
+            }
+        )
         # input is a output of another task, we make a link
         if isinstance(nodes[key], NodeSocket):
             links[f"nodes.{key}"] = nodes[key]
diff --git a/src/aiida_workgraph/utils/__init__.py b/src/aiida_workgraph/utils/__init__.py
index 49e5ddbf..d457c857 100644
--- a/src/aiida_workgraph/utils/__init__.py
+++ b/src/aiida_workgraph/utils/__init__.py
@@ -558,12 +558,13 @@ def workgraph_to_short_json(
     #
     for name, task in wgdata["tasks"].items():
         # Add required inputs to nodes
-        inputs = [
-            {"name": name, "identifier": input["identifier"]}
-            for name, input in task["inputs"].items()
-            if name in task["args"]
-            or (task["identifier"].upper() == "SHELLJOB" and name.startswith("nodes."))
-        ]
+        inputs = []
+        for input in task["inputs"].values():
+            metadata = input.get("metadata", {}) or {}
+            if metadata.get("required", False):
+                inputs.append(
+                    {"name": input["name"], "identifier": input["identifier"]}
+                )
 
         properties = process_properties(task)
         wgdata_short["nodes"][name] = {