Fix imports in tests

tests/conftest.py

@@ -26,19 +26,19 @@
 
 from . import logger
 
-from nomad_simulations import Simulation
-from nomad_simulations.model_system import ModelSystem, AtomicCell
-from nomad_simulations.atoms_state import AtomsState, OrbitalsState
-from nomad_simulations.model_method import ModelMethod
-from nomad_simulations.numerical_settings import (
+from nomad_simulations.schema import Simulation
+from nomad_simulations.schema_sections.model_system import ModelSystem, AtomicCell
+from nomad_simulations.schema_sections.atoms_state import AtomsState, OrbitalsState
+from nomad_simulations.schema_sections.model_method import ModelMethod
+from nomad_simulations.schema_sections.numerical_settings import (
     SelfConsistency,
     KSpace,
     KMesh as KMeshSettings,
     KLinePath as KLinePathSettings,
 )
-from nomad_simulations.outputs import Outputs, SCFOutputs
-from nomad_simulations.variables import Energy2 as Energy
-from nomad_simulations.properties import (
+from nomad_simulations.schema_sections.outputs import Outputs, SCFOutputs
+from nomad_simulations.schema_sections.variables import Energy2 as Energy
+from nomad_simulations.schema_sections.properties import (
     ElectronicBandGap,
     DOSProfile,
     ElectronicDensityOfStates,

tests/test_atoms_state.py

@@ -25,7 +25,7 @@
 
 from . import logger
 
-from nomad_simulations.atoms_state import (
+from nomad_simulations.schema_sections.atoms_state import (
     OrbitalsState,
     CoreHole,
     HubbardInteractions,

tests/test_band_gap.py

@@ -25,8 +25,8 @@
 
 from . import logger
 
-from nomad_simulations.properties import ElectronicBandGap
-from nomad_simulations.variables import Temperature
+from nomad_simulations.schema_sections.properties import ElectronicBandGap
+from nomad_simulations.schema_sections.variables import Temperature
 
 
 class TestElectronicBandGap:

tests/test_energies.py

@@ -16,7 +16,7 @@
 # limitations under the License.
 #
 
-from nomad_simulations.properties import FermiLevel, ChemicalPotential
+from nomad_simulations.schema_sections.properties import FermiLevel, ChemicalPotential
 
 
 class TestFermiLevel:

tests/test_hopping_matrix.py

@@ -19,7 +19,10 @@
 import pytest
 import numpy as np
 
-from nomad_simulations.properties import HoppingMatrix, CrystalFieldSplitting
+from nomad_simulations.schema_sections.properties import (
+    HoppingMatrix,
+    CrystalFieldSplitting,
+)
 
 
 class TestHoppingMatrix:

tests/test_model_system.py

@@ -25,7 +25,7 @@
 from . import logger
 from .conftest import generate_atomic_cell
 
-from nomad_simulations.model_system import (
+from nomad_simulations.schema_sections.model_system import (
     Symmetry,
     ChemicalFormula,
     ModelSystem,

tests/test_numerical_settings.py

@@ -23,7 +23,11 @@
 from nomad.units import ureg
 from nomad.datamodel import EntryArchive
 
-from nomad_simulations.numerical_settings import KMesh, KLinePath, KSpaceFunctionalities
+from nomad_simulations.schema_sections.numerical_settings import (
+    KMesh,
+    KLinePath,
+    KSpaceFunctionalities,
+)
 
 from . import logger
 from .conftest import generate_k_line_path, generate_k_space_simulation

tests/test_outputs.py

@@ -24,7 +24,7 @@
 from . import logger
 from .conftest import generate_scf_electronic_band_gap_template
 
-from nomad_simulations.outputs import Outputs, ElectronicBandGap
+from nomad_simulations.schema_sections.outputs import Outputs, ElectronicBandGap
 
 
 class TestOutputs:

tests/test_permittivity.py

@@ -25,12 +25,12 @@
 
 from . import logger
 
-from nomad_simulations import Simulation
-from nomad_simulations.model_system import ModelSystem, AtomicCell
-from nomad_simulations.atoms_state import AtomsState
-from nomad_simulations.outputs import Outputs
-from nomad_simulations.properties import Permittivity
-from nomad_simulations.variables import Variables, KMesh, Frequency
+from nomad_simulations.schema import Simulation
+from nomad_simulations.schema_sections.model_system import ModelSystem, AtomicCell
+from nomad_simulations.schema_sections.atoms_state import AtomsState
+from nomad_simulations.schema_sections.outputs import Outputs
+from nomad_simulations.schema_sections.properties import Permittivity
+from nomad_simulations.schema_sections.variables import Variables, KMesh, Frequency
 
 from .conftest import generate_k_space_simulation
 

tests/test_physical_properties.py

@@ -25,8 +25,8 @@
 
 from . import logger
 
-from nomad_simulations.variables import Variables
-from nomad_simulations.physical_property import PhysicalProperty
+from nomad_simulations.schema_sections.variables import Variables
+from nomad_simulations.schema_sections.physical_property import PhysicalProperty
 
 
 class DummyPhysicalProperty(PhysicalProperty):

tests/test_spectral_profile.py

@@ -25,17 +25,17 @@
 
 from . import logger
 
-from nomad_simulations import Simulation
-from nomad_simulations.model_system import ModelSystem, AtomicCell
-from nomad_simulations.atoms_state import AtomsState
-from nomad_simulations.outputs import Outputs
-from nomad_simulations.properties import (
+from nomad_simulations.schema import Simulation
+from nomad_simulations.schema_sections.model_system import ModelSystem, AtomicCell
+from nomad_simulations.schema_sections.atoms_state import AtomsState
+from nomad_simulations.schema_sections.outputs import Outputs
+from nomad_simulations.schema_sections.properties import (
     SpectralProfile,
     ElectronicDensityOfStates,
     AbsorptionSpectrum,
     XASSpectrum,
 )
-from nomad_simulations.variables import Energy2 as Energy
+from nomad_simulations.schema_sections.variables import Energy2 as Energy
 
 
 class TestSpectralProfile:

tests/test_utils.py

@@ -21,13 +21,17 @@
 
 from nomad.units import ureg
 
-from nomad_simulations.utils import (
+from nomad_simulations.schema_sections.utils import (
     get_sibling_section,
     is_not_representative,
     get_variables,
 )
-from nomad_simulations.model_system import ModelSystem, AtomicCell, Symmetry
-from nomad_simulations.variables import Temperature, Energy2 as Energy
+from nomad_simulations.schema_sections.model_system import (
+    ModelSystem,
+    AtomicCell,
+    Symmetry,
+)
+from nomad_simulations.schema_sections.variables import Temperature, Energy2 as Energy
 
 from . import logger
 

tests/test_variables.py

@@ -22,7 +22,7 @@
 
 from . import logger
 
-from nomad_simulations.variables import Variables
+from nomad_simulations.schema_sections.variables import Variables
 
 
 class TestVariables: