From fe578ccb40d456e9ef533f480ca4b8ca825f2669 Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Mon, 28 Aug 2023 15:39:08 +0000 Subject: [PATCH] Backport structuredata import. --- examples/single_calculations/example_sirius.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/single_calculations/example_sirius.py b/examples/single_calculations/example_sirius.py index 3fb3af9..3c6ba9b 100644 --- a/examples/single_calculations/example_sirius.py +++ b/examples/single_calculations/example_sirius.py @@ -13,7 +13,7 @@ import click from aiida import common, engine, orm, plugins -StructureData = plugins.DataFactory("core.structure") +StructureData = plugins.DataFactory("structure") def example_sirius(cp2k_code): @@ -98,7 +98,7 @@ def example_sirius(cp2k_code): builder.structure = structure builder.parameters = parameters builder.code = cp2k_code - pseudo_family = orm.load_group("SSSP/1.3/PBE/efficiency") + pseudo_family = orm.load_group("SSSP/1.2/PBE/efficiency") builder.pseudos_upf = pseudo_family.get_pseudos(structure=structure) builder.metadata.options.resources = { "num_machines": 1,