Use definition from run schema plugin

nomad-coe · Dec 6, 2023 · 0d47615 · 0d47615
1 parent 1e85f43
commit 0d47615
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Showing 13 changed files with 21 additions and 21 deletions.
diff --git a/simulationworkflowschema/chemical_reaction.py b/simulationworkflowschema/chemical_reaction.py
@@ -19,7 +19,7 @@
 
 from nomad.metainfo import SubSection, Section, Quantity, MEnum
 from nomad.datamodel.metainfo.workflow import Task
-from nomad.datamodel.metainfo.simulation.calculation import Calculation
+from runschema.calculation import Calculation
 from .general import (
     SimulationWorkflowMethod, SimulationWorkflowResults, SimulationWorkflow
 )

diff --git a/simulationworkflowschema/dmft.py b/simulationworkflowschema/dmft.py
@@ -16,11 +16,11 @@
 # limitations under the License.
 #
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.method import (
+from runschema.method import (
     XCFunctional, BasisSetContainer, TB as TBMethodology,
     DMFT as DMFTMethodology
 )
-from nomad.datamodel.metainfo.simulation.calculation import (
+from runschema.calculation import (
     BandGap, Dos, BandStructure, GreensFunctions
 )
 from .general import SimulationWorkflowResults, SimulationWorkflowMethod, SerialSimulation

diff --git a/simulationworkflowschema/general.py b/simulationworkflowschema/general.py
@@ -22,9 +22,9 @@
 from nomad.metainfo import SubSection, Section, Quantity, Reference
 from nomad.datamodel.metainfo.common import FastAccess
 from nomad.datamodel.metainfo.workflow import Workflow, Link, Task
-from nomad.datamodel.metainfo.simulation.method import Method
-from nomad.datamodel.metainfo.simulation.system import System
-from nomad.datamodel.metainfo.simulation.calculation import Calculation
+from runschema.method import Method
+from runschema.system import System
+from runschema.calculation import Calculation
 
 
 def resolve_difference(values):

diff --git a/simulationworkflowschema/geometry_optimization.py b/simulationworkflowschema/geometry_optimization.py
@@ -20,7 +20,7 @@
 
 from nomad.metainfo import SubSection, Quantity, MEnum
 from nomad.datamodel.metainfo.workflow import Link
-from nomad.datamodel.metainfo.simulation.calculation import EnergyEntry
+from runschema.calculation import EnergyEntry
 
 from .general import (
     SimulationWorkflowMethod, SimulationWorkflowResults, SerialSimulation,

diff --git a/simulationworkflowschema/gw.py b/simulationworkflowschema/gw.py
@@ -16,10 +16,10 @@
 # limitations under the License.
 #
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.method import (
+from runschema.method import (
     XCFunctional, BasisSetContainer, GW as GWMethodology
 )
-from nomad.datamodel.metainfo.simulation.calculation import BandGap, Dos, BandStructure
+from runschema.calculation import BandGap, Dos, BandStructure
 from .general import SimulationWorkflowResults, SimulationWorkflowMethod, SerialSimulation
 
 

diff --git a/simulationworkflowschema/max_ent.py b/simulationworkflowschema/max_ent.py
@@ -16,8 +16,8 @@
 # limitations under the License.
 #
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.method import Method, DMFT as DMFTMethodology
-from nomad.datamodel.metainfo.simulation.calculation import BandGap, Dos, GreensFunctions
+from runschema.method import Method, DMFT as DMFTMethodology
+from runschema.calculation import BandGap, Dos, GreensFunctions
 from .general import SimulationWorkflowResults, SimulationWorkflowMethod, SerialSimulation
 
 

diff --git a/simulationworkflowschema/molecular_dynamics.py b/simulationworkflowschema/molecular_dynamics.py
@@ -21,8 +21,8 @@
 from nomad.datamodel.data import ArchiveSection
 from nomad.metainfo import SubSection, Section, Quantity, MEnum, Reference
 from nomad.datamodel.metainfo.workflow import Link
-from nomad.datamodel.metainfo.simulation.system import System, AtomsGroup
-from nomad.datamodel.metainfo.simulation.calculation import (
+from runschema.system import System, AtomsGroup
+from runschema.calculation import (
     RadiusOfGyration as RadiusOfGyrationCalculation,
     RadiusOfGyrationValues as RadiusOfGyrationValuesCalculation)
 from nomad.atomutils import archive_to_universe

diff --git a/simulationworkflowschema/phonon.py b/simulationworkflowschema/phonon.py
@@ -19,7 +19,7 @@
 
 from nomad.metainfo import SubSection, Quantity, Reference
 from nomad.datamodel.metainfo.workflow import Link
-from nomad.datamodel.metainfo.simulation.calculation import Dos, BandStructure
+from runschema.calculation import Dos, BandStructure
 from .general import (
     ParallelSimulation, SimulationWorkflowMethod, SimulationWorkflowResults,
     WORKFLOW_METHOD_NAME, WORKFLOW_RESULTS_NAME

diff --git a/simulationworkflowschema/photon_polarization.py b/simulationworkflowschema/photon_polarization.py
@@ -18,8 +18,8 @@
 import numpy as np
 
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.method import BSE as BSEMethodology
-from nomad.datamodel.metainfo.simulation.calculation import Spectra
+from runschema.method import BSE as BSEMethodology
+from runschema.calculation import Spectra
 from .general import SimulationWorkflowResults, SimulationWorkflowMethod, ParallelSimulation
 
 

diff --git a/simulationworkflowschema/single_point.py b/simulationworkflowschema/single_point.py
@@ -19,7 +19,7 @@
 
 from nomad.metainfo import SubSection, Quantity, Reference
 from nomad.datamodel.metainfo.workflow import Link, Task
-from nomad.datamodel.metainfo.simulation.calculation import (
+from runschema.calculation import (
     Dos, BandStructure, BandEnergies, Density, Potential, Spectra,
 )
 from .general import (

diff --git a/simulationworkflowschema/tb.py b/simulationworkflowschema/tb.py
@@ -16,8 +16,8 @@
 # limitations under the License.
 #
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.method import TB as TBMethodology
-from nomad.datamodel.metainfo.simulation.calculation import BandGap, BandStructure
+from runschema.method import TB as TBMethodology
+from runschema.calculation import BandGap, BandStructure
 from .general import SimulationWorkflowResults, SimulationWorkflowMethod, SerialSimulation
 
 

diff --git a/simulationworkflowschema/thermodynamics.py b/simulationworkflowschema/thermodynamics.py
@@ -21,7 +21,7 @@
 from nomad.datamodel.data import ArchiveSection
 from nomad.metainfo import SubSection, Section, Quantity, Reference, derived
 from nomad.datamodel.metainfo.workflow import Link
-from nomad.datamodel.metainfo.simulation.system import System
+from runschema.system import System
 from .general import (
     SimulationWorkflowResults, SimulationWorkflowMethod, SerialSimulation,
     WORKFLOW_METHOD_NAME, WORKFLOW_RESULTS_NAME

diff --git a/simulationworkflowschema/xs.py b/simulationworkflowschema/xs.py
@@ -16,7 +16,7 @@
 # limitations under the License.
 #
 from nomad.metainfo import SubSection, Quantity, Reference
-from nomad.datamodel.metainfo.simulation.calculation import (
+from runschema.calculation import (
     BandGap, Dos, BandStructure, Spectra,
     ElectronicStructureProvenance
 )