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Fix schema reload
1 parent 87724c2 commit 4475542

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3 files changed

+3
-14
lines changed

3 files changed

+3
-14
lines changed

src/nomad_simulation_parsers/parsers/exciting/parser.py

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@@ -1,6 +1,7 @@
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import os
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from importlib import reload
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from typing import Any
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from importlib import reload
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import numpy as np
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from nomad.datamodel.datamodel import (
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from structlog.stdlib import (
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BoundLogger,
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)
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from nomad_simulation_parsers.schema_packages import exciting
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from nomad_simulation_parsers.parsers.utils.general import (
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remove_mapping_annotations,

src/nomad_simulation_parsers/parsers/vasp/outcar_parser.py

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@@ -466,12 +466,6 @@ def get_xc_functionals(self, parameters: dict[str, Any]) -> list[dict[str, Any]]
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class OutcarArchiveWriter(ArchiveWriter):
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def write_to_archive(self) -> None:
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<<<<<<< HEAD
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=======
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# import schema to load annotations
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from nomad_simulation_parsers.schema_packages import vasp
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>>>>>>> 5c4e91d (Refactor)
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# set up archive parser
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archive_data_parser = VASPMetainfoParser()
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archive_data = Simulation()
@@ -496,7 +490,3 @@ def write_to_archive(self) -> None:
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# close file handles
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archive_data_parser.close()
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source_parser.close()
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# remove annotations
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# TODO cache? put in close context
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remove_mapping_annotations(vasp.general.Simulation.m_def)

src/nomad_simulation_parsers/parsers/vasp/xml_parser.py

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@@ -11,6 +11,7 @@
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from nomad_simulations.schema_packages.general import Simulation
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from nomad_simulation_parsers.parsers.utils.general import remove_mapping_annotations
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from nomad_simulation_parsers.schema_packages import vasp
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LOGGER = get_logger(__name__)
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@@ -81,7 +82,3 @@ def write_to_archive(self) -> None:
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# close file objects
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data_parser.close()
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xml_parser.close()
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# remove annotations
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# TODO cache? put in close context
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remove_mapping_annotations(vasp.general.Simulation.m_def)

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