diff --git a/src/nomad_simulations/schema_packages/general.py b/src/nomad_simulations/schema_packages/general.py index 76501b62..8fa5d75e 100644 --- a/src/nomad_simulations/schema_packages/general.py +++ b/src/nomad_simulations/schema_packages/general.py @@ -127,7 +127,6 @@ class Program(Entity): a_eln=ELNAnnotation(component='StringEditQuantity'), ) - compilation_host = Quantity( type=str, description=""" diff --git a/tests/conftest.py b/tests/conftest.py index 02c25e41..ed70c072 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -23,7 +23,6 @@ import pytest from nomad.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.atoms_state import AtomsState, OrbitalsState from nomad_simulations.schema_packages.general import Simulation from nomad_simulations.schema_packages.model_method import ModelMethod diff --git a/tests/test_atoms_state.py b/tests/test_atoms_state.py index dd2aa70c..65a1e3d0 100644 --- a/tests/test_atoms_state.py +++ b/tests/test_atoms_state.py @@ -22,7 +22,6 @@ import pytest from nomad.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.atoms_state import ( AtomsState, CoreHole, diff --git a/tests/test_band_gap.py b/tests/test_band_gap.py index 8d8a6b53..b47abe1b 100644 --- a/tests/test_band_gap.py +++ b/tests/test_band_gap.py @@ -22,7 +22,6 @@ import pytest from nomad.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.properties import ElectronicBandGap from nomad_simulations.schema_packages.variables import Temperature diff --git a/tests/test_band_structure.py b/tests/test_band_structure.py index 1e81aab5..4dd72ecd 100644 --- a/tests/test_band_structure.py +++ b/tests/test_band_structure.py @@ -21,7 +21,6 @@ import numpy as np import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.properties import ElectronicEigenvalues from . import logger diff --git a/tests/test_basis_set.py b/tests/test_basis_set.py index b1dcb03c..de7b17b3 100644 --- a/tests/test_basis_set.py +++ b/tests/test_basis_set.py @@ -7,7 +7,6 @@ import pytest from nomad.datamodel.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.atoms_state import AtomsState from nomad_simulations.schema_packages.basis_set import ( APWBaseOrbital, @@ -23,6 +22,7 @@ from nomad_simulations.schema_packages.general import Simulation from nomad_simulations.schema_packages.model_method import BaseModelMethod, ModelMethod from nomad_simulations.schema_packages.model_system import AtomicCell, ModelSystem + from tests.conftest import refs_apw from . import logger diff --git a/tests/test_fermi_surface.py b/tests/test_fermi_surface.py index 05c7206b..dde4ce1f 100644 --- a/tests/test_fermi_surface.py +++ b/tests/test_fermi_surface.py @@ -19,7 +19,6 @@ from typing import Optional import pytest - from nomad_simulations.schema_packages.properties import FermiSurface diff --git a/tests/test_general.py b/tests/test_general.py index 06a360c9..e722e03e 100644 --- a/tests/test_general.py +++ b/tests/test_general.py @@ -19,7 +19,6 @@ import numpy as np import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.general import Simulation from nomad_simulations.schema_packages.model_system import ( AtomicCell, diff --git a/tests/test_greens_function.py b/tests/test_greens_function.py index 36b96222..e7b90f00 100644 --- a/tests/test_greens_function.py +++ b/tests/test_greens_function.py @@ -20,7 +20,6 @@ import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.properties import ( QuasiparticleWeight, ) diff --git a/tests/test_hopping_matrix.py b/tests/test_hopping_matrix.py index b7cf43d7..cfe6ada2 100644 --- a/tests/test_hopping_matrix.py +++ b/tests/test_hopping_matrix.py @@ -19,7 +19,6 @@ from typing import Optional import pytest - from nomad_simulations.schema_packages.properties import ( CrystalFieldSplitting, HoppingMatrix, diff --git a/tests/test_model_method.py b/tests/test_model_method.py index 7e51e22d..b66c5e25 100644 --- a/tests/test_model_method.py +++ b/tests/test_model_method.py @@ -20,7 +20,6 @@ import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.atoms_state import AtomsState, OrbitalsState from nomad_simulations.schema_packages.general import Simulation from nomad_simulations.schema_packages.model_method import ( diff --git a/tests/test_model_system.py b/tests/test_model_system.py index 6ead47e8..ecb67a76 100644 --- a/tests/test_model_system.py +++ b/tests/test_model_system.py @@ -21,7 +21,6 @@ import numpy as np import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.model_system import ( ChemicalFormula, ModelSystem, diff --git a/tests/test_numerical_settings.py b/tests/test_numerical_settings.py index 70ab30da..aab071ce 100644 --- a/tests/test_numerical_settings.py +++ b/tests/test_numerical_settings.py @@ -22,7 +22,6 @@ import pytest from nomad.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.numerical_settings import ( KLinePath, KMesh, diff --git a/tests/test_outputs.py b/tests/test_outputs.py index a048b8ec..1dfdc257 100644 --- a/tests/test_outputs.py +++ b/tests/test_outputs.py @@ -20,7 +20,6 @@ import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.model_method import ModelMethod from nomad_simulations.schema_packages.model_system import ModelSystem from nomad_simulations.schema_packages.numerical_settings import SelfConsistency diff --git a/tests/test_permittivity.py b/tests/test_permittivity.py index f6955f97..9cb58fbc 100644 --- a/tests/test_permittivity.py +++ b/tests/test_permittivity.py @@ -20,7 +20,6 @@ import numpy as np import pytest - from nomad_simulations.schema_packages.properties import Permittivity from nomad_simulations.schema_packages.variables import Frequency, KMesh, Variables diff --git a/tests/test_physical_properties.py b/tests/test_physical_properties.py index b9e9e1bf..12191221 100644 --- a/tests/test_physical_properties.py +++ b/tests/test_physical_properties.py @@ -23,7 +23,6 @@ from nomad.datamodel import EntryArchive from nomad.metainfo import Quantity from nomad.units import ureg - from nomad_simulations.schema_packages.physical_property import ( PhysicalProperty, validate_quantity_wrt_value, diff --git a/tests/test_spectral_profile.py b/tests/test_spectral_profile.py index 4184bbb7..003bd029 100644 --- a/tests/test_spectral_profile.py +++ b/tests/test_spectral_profile.py @@ -22,7 +22,6 @@ import pytest from nomad.datamodel import EntryArchive from nomad.units import ureg - from nomad_simulations.schema_packages.atoms_state import AtomsState from nomad_simulations.schema_packages.general import Simulation from nomad_simulations.schema_packages.model_system import AtomicCell, ModelSystem diff --git a/tests/test_utils.py b/tests/test_utils.py index 3d3e69cf..8cf7512a 100644 --- a/tests/test_utils.py +++ b/tests/test_utils.py @@ -17,7 +17,6 @@ # import pytest - from nomad_simulations.schema_packages.model_system import ( AtomicCell, ModelSystem, diff --git a/tests/test_variables.py b/tests/test_variables.py index c64faf91..2fd63a00 100644 --- a/tests/test_variables.py +++ b/tests/test_variables.py @@ -18,7 +18,6 @@ import pytest from nomad.datamodel import EntryArchive - from nomad_simulations.schema_packages.variables import Variables from . import logger