diff --git a/binder/environment.yml b/binder/environment.yml index e56385c..7faa74f 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -7,11 +7,11 @@ dependencies: - hatchling =1.27.0 - httpcore =1.0.7 - jobflow =0.2.0 -- pyiron_base =0.12.0 -- pyiron_workflow =0.13.0 +- pyiron_base =0.15.5 +- pyiron_workflow =0.15.4 - pygraphviz =1.14 - aiida-workgraph =0.7.4 - plumpy =0.25.0 - conda_subprocess =0.0.7 -- networkx =3.5 +- networkx =3.4.2 - cwltool =3.1.20250110105449 diff --git a/example_workflows/quantum_espresso/environment.yml b/example_workflows/quantum_espresso/environment.yml index 962ad20..1ae715d 100644 --- a/example_workflows/quantum_espresso/environment.yml +++ b/example_workflows/quantum_espresso/environment.yml @@ -5,5 +5,5 @@ dependencies: - matplotlib=3.10.1 - xmlschema=3.4.3 - optimade=1.2.3 -- qe=7.4 +- qe=7.5 - qe-tools=2.0.0 diff --git a/example_workflows/quantum_espresso/qe_xml_parser/src/qe_xml_parser/schemas/qes_230310.xsd b/example_workflows/quantum_espresso/qe_xml_parser/src/qe_xml_parser/schemas/qes_230310.xsd index 2394151..36b6b4e 100644 --- a/example_workflows/quantum_espresso/qe_xml_parser/src/qe_xml_parser/schemas/qes_230310.xsd +++ b/example_workflows/quantum_espresso/qe_xml_parser/src/qe_xml_parser/schemas/qes_230310.xsd @@ -1036,7 +1036,7 @@ datecode 220603 - + diff --git a/pyproject.toml b/pyproject.toml index 41edc0b..b2b0c9f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -28,7 +28,7 @@ jobflow = [ "jobflow>=0.1.18,<=0.2.0", ] pyiron = [ - "pyiron_base>=0.11.10,<=0.12.0", + "pyiron_base>=0.11.10,<=0.15.5", ] plot = [ "pygraphviz>=1.10,<=1.14", diff --git a/src/python_workflow_definition/pyiron_base.py b/src/python_workflow_definition/pyiron_base.py index 437c562..d60d345 100644 --- a/src/python_workflow_definition/pyiron_base.py +++ b/src/python_workflow_definition/pyiron_base.py @@ -98,11 +98,11 @@ def get_dict(**kwargs) -> dict: def get_list(**kwargs) -> list: - return list(kwargs["kwargs"].values()) + return list(kwargs["kwargs"]) def _remove_server_obj(nodes_dict: dict, edges_lst: list): - server_lst = [k for k in nodes_dict.keys() if k.startswith("server_obj_")] + server_lst = [k for k in nodes_dict.keys() if k.startswith("_server_obj_")] for s in server_lst: del nodes_dict[s] edges_lst = [ep for ep in edges_lst if s not in ep]