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Plugins

Plugins allow one to add Python-based functionality to NOMAD without a custom NOMAD image or release. Plugins can be installed at NOMAD start-up time. Therefore, a NOMAD installation or Oasis can be configured with a different custom set of plugins or disable unnecessary plugins.

Note

You might also want to read the how-to guide on plugins

Plugin entry point reference

This is a list of the available plugin entry point configuration models.

APIEntryPoint

Base model for API plugin entry points.

name type
prefix str The prefix for the API. The URL for the API will be the base URL of the NOMAD installation followed by this prefix. The prefix must not collide with any other API prefixes. There is no default, this field must be set.
name str | None Name of the plugin entry point.
description str | None A human readable description of the plugin entry point.

AppEntryPoint

Base model for app plugin entry points.

name type
app App The app configuration.
default: PydanticUndefined
name str | None Name of the plugin entry point.
description str | None A human readable description of the plugin entry point.

ExampleUploadEntryPoint

Base model for example upload plugin entry points.

name type
name str | None Name of the plugin entry point.
description str | None Longer description of the example upload.
default: PydanticUndefined
category str | None Category for the example upload.
default: PydanticUndefined
title str | None Title of the example upload.
default: PydanticUndefined
resources None | list[UploadResource | str] | UploadResource | str List of data resources for this example upload.
path str | None deprecated
url str | None deprecated

NormalizerEntryPoint

Base model for normalizer plugin entry points.

name type
level int Integer that determines the execution order of this normalizer within the processing of an individual entry. Normalizers with the lowest level is run first.
default: 0
name str | None Name of the plugin entry point.
description str | None A human readable description of the plugin entry point.

ParserEntryPoint

Base model for parser plugin entry points.

name type
level int Integer that determines the execution order of this parser within an upload. Parser with lowest level will be executed first. Note that this only controls the order in which matched parsers are executed, but does not affect the order in which parsers are matched to files.
default: 0
aliases list[str] List of alternative parser names.
default: []
mainfile_name_re str A regular expression that is applied the name of a potential mainfile. If this expression is given, the parser is only considered for a file, if the expression matches.
default: .*
mainfile_mime_re str A regular expression that is applied the mime type of a potential mainfile. If this expression is given, the parser is only considered for a file, if the expression matches.
default: .*
mainfile_alternative bool If True, the parser only matches a file, if no other file in the same directory matches a parser.
default: False
supported_compressions list[str] Files compressed with the given formats (e.g. xz, gz) are uncompressed and matched like normal files.
default: []
name str | None Name of the plugin entry point.
description str | None A human readable description of the plugin entry point.
mainfile_contents_re str | None A regular expression that is applied the content of a potential mainfile. If this expression is given, the parser is only considered for a file, if the expression matches.
mainfile_binary_header bytes | None Matches a binary file if the given bytes are included in the file.
mainfile_binary_header_re bytes | None Matches a binary file if the given binary regular expression bytes matches the file contents.
mainfile_contents_dict dict | None Is used to match structured data files like JSON or HDF5.

SchemaPackageEntryPoint

Base model for schema package plugin entry points.

name type
name str | None Name of the plugin entry point.
description str | None A human readable description of the plugin entry point.

Default plugin entry points

This is a list of the plugin entry points that are activated by default:

example_upload: example_uploads/1_basic_examples/1_theory, example_uploads/1_basic_examples/2_eln, example_uploads/1_basic_examples/3_tables, example_uploads/2_tutorials/1_rdm_tutorial, example_uploads/2_tutorials/2_cow_tutorial, nomad_external_eln_integrations.example_uploads:elabftwexample, pynxtools_xps.nomad.entrypoints:xps_example, pynxtools_mpes.nomad.entrypoints:mpes_example, pynxtools_ellips.nomad.entrypoints:ellips_example, pynxtools.nomad.entrypoints:iv_temp_example, nomad_plugin_gui.example_uploads:ui_demonstration_example_upload, pynxtools_stm.nomad.entrypoints:stm_example, pynxtools_stm.nomad.entrypoints:sts_example, pynxtools_apm.nomad.entrypoints:apm_example, pynxtools_em.nomad.entrypoints:em_example, nomad_catalysis.example_uploads:catalysis

app: apps/1_all/1_entries, apps/2_theory/1_calculations, apps/2_theory/2_materials, apps/3_experiment/1_eln, apps/3_experiment/2_eels, nomad_simulation_apps.apps:alexandria_entry_point, nomad_porous_materials.apps:mofapp, nomad_aitoolkit.apps:aitoolkit, nomad_catalysis.apps:catalysis, perovskite_solar_cell_database.apps:perovskite_ions, perovskite_solar_cell_database.apps:perovskite_solar_cell_database_app, perovskite_solar_cell_database.apps:solar_cells

normalizer: simulationworkflownormalizer:simulationworkflow_normalizer_entry_point, bandstructurenormalizer:bandstructure_normalizer_entry_point, dosnormalizer:dos_normalizer_entry_point, spectranormalizer:spectra_normalizer_entry_point, nomad_porous_materials.normalizers:porositynormalizer, systemnormalizer:system_normalizer_entry_point, soapnormalizer:soap_normalizer_entry_point

schema_package: runschema:run_schema_entry_point, nomad_external_eln_integrations.schema_packages.elabftw:elabftw_schema, nomad_external_eln_integrations.schema_packages.labfolder:labfolder_schema, nomad_external_eln_integrations.schema_packages.openbis:openbis_schema, simulationworkflowschema:simulationworkflow_schema_entry_point, pynxtools.nomad.entrypoints:nexus_data_converter, pynxtools.nomad.entrypoints:nexus_schema, nomad_plugin_gui.schema_packages:demo_schema, nomad_plugin_gui.schema_packages:exercise_schema, nomad_plugin_gui.schema_packages:values_test_schema, nomad_simulations.schema_packages:nomad_simulations_plugin, nomad_aitoolkit:aitoolkit, nomad_catalysis.schema_packages:catalysis, perovskite_solar_cell_database:perovskite_composition, perovskite_solar_cell_database:perovskite_solar_cell

parser: nomad_external_eln_integrations.parsers:chemotion_parser_entry_point, nomad_external_eln_integrations.parsers:elabftw_parser_entry_point, workflowparsers:aflow_parser_entry_point, workflowparsers:asr_parser_entry_point, workflowparsers:atomate_parser_entry_point, workflowparsers:elastic_parser_entry_point, workflowparsers:fhivibes_parser_entry_point, workflowparsers:lobster_parser_entry_point, workflowparsers:phonopy_parser_entry_point, workflowparsers:quantum_espresso_epw_parser_entry_point, workflowparsers:quantum_espresso_phonon_parser_entry_point, workflowparsers:quantum_espresso_xspectra_parser_entry_point, databaseparsers:openkim_parser_entry_point, electronicparsers:abacus_parser_entry_point, electronicparsers:abinit_parser_entry_point, electronicparsers:ams_parser_entry_point, electronicparsers:atk_parser_entry_point, electronicparsers:bigdft_parser_entry_point, electronicparsers:castep_parser_entry_point, electronicparsers:charmm_parser_entry_point, electronicparsers:cp2k_parser_entry_point, electronicparsers:cpmd_parser_entry_point, electronicparsers:crystal_parser_entry_point, electronicparsers:dmol3_parser_entry_point, electronicparsers:edmft_parser_entry_point, electronicparsers:elk_parser_entry_point, electronicparsers:exciting_parser_entry_point, electronicparsers:fhiaims_parser_entry_point, electronicparsers:fleur_parser_entry_point, electronicparsers:fplo_parser_entry_point, electronicparsers:gamess_parser_entry_point, electronicparsers:gaussian_parser_entry_point, electronicparsers:gpaw_parser_entry_point, electronicparsers:magres_parser_entry_point, electronicparsers:molcas_parser_entry_point, electronicparsers:mopac_parser_entry_point, electronicparsers:nwchem_parser_entry_point, electronicparsers:ocean_parser_entry_point, electronicparsers:octopus_parser_entry_point, electronicparsers:onetep_parser_entry_point, electronicparsers:openmx_parser_entry_point, electronicparsers:orca_parser_entry_point, electronicparsers:psi4_parser_entry_point, electronicparsers:qball_parser_entry_point, electronicparsers:qbox_parser_entry_point, electronicparsers:quantumespresso_parser_entry_point, electronicparsers:siesta_parser_entry_point, electronicparsers:soliddmft_parser_entry_point, electronicparsers:tbstudio_parser_entry_point, electronicparsers:turbomole_parser_entry_point, electronicparsers:vasp_parser_entry_point, electronicparsers:w2dynamics_parser_entry_point, electronicparsers:wannier90_parser_entry_point, electronicparsers:wien2k_parser_entry_point, electronicparsers:yambo_parser_entry_point, pynxtools.nomad.entrypoints:nexus_parser, atomisticparsers:amber_parser_entry_point, atomisticparsers:asap_parser_entry_point, atomisticparsers:ase_parser_entry_point, atomisticparsers:bopfox_parser_entry_point, atomisticparsers:dftbplus_parser_entry_point, atomisticparsers:dlpoly_parser_entry_point, atomisticparsers:gromacs_parser_entry_point, atomisticparsers:gromos_parser_entry_point, atomisticparsers:gulp_parser_entry_point, atomisticparsers:h5md_parser_entry_point, atomisticparsers:lammps_parser_entry_point, atomisticparsers:libatoms_parser_entry_point, atomisticparsers:namd_parser_entry_point, atomisticparsers:tinker_parser_entry_point, atomisticparsers:xtb_parser_entry_point, eelsdbparser:eelsdb_parser_entry_point, perovskite_solar_cell_database:ion_parser

api: nomad_plugin_gui.apis:app_api, nomad_plugin_gui.apis:gui_api