nomad-parser-plugins-workflow 1.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- nomad_parser_plugins_workflow-1.0.dist-info/LICENSE +202 -0
- nomad_parser_plugins_workflow-1.0.dist-info/METADATA +319 -0
- nomad_parser_plugins_workflow-1.0.dist-info/RECORD +58 -0
- nomad_parser_plugins_workflow-1.0.dist-info/WHEEL +5 -0
- nomad_parser_plugins_workflow-1.0.dist-info/entry_points.txt +11 -0
- nomad_parser_plugins_workflow-1.0.dist-info/top_level.txt +1 -0
- workflowparsers/__init__.py +314 -0
- workflowparsers/aflow/__init__.py +19 -0
- workflowparsers/aflow/__main__.py +31 -0
- workflowparsers/aflow/metainfo/__init__.py +19 -0
- workflowparsers/aflow/metainfo/aflow.py +1240 -0
- workflowparsers/aflow/parser.py +741 -0
- workflowparsers/asr/__init__.py +19 -0
- workflowparsers/asr/__main__.py +31 -0
- workflowparsers/asr/metainfo/__init__.py +19 -0
- workflowparsers/asr/metainfo/asr.py +306 -0
- workflowparsers/asr/parser.py +266 -0
- workflowparsers/atomate/__init__.py +19 -0
- workflowparsers/atomate/__main__.py +31 -0
- workflowparsers/atomate/metainfo/__init__.py +19 -0
- workflowparsers/atomate/metainfo/atomate.py +395 -0
- workflowparsers/atomate/parser.py +357 -0
- workflowparsers/elastic/__init__.py +19 -0
- workflowparsers/elastic/__main__.py +31 -0
- workflowparsers/elastic/metainfo/__init__.py +19 -0
- workflowparsers/elastic/metainfo/elastic.py +364 -0
- workflowparsers/elastic/parser.py +798 -0
- workflowparsers/fhivibes/__init__.py +19 -0
- workflowparsers/fhivibes/__main__.py +31 -0
- workflowparsers/fhivibes/metainfo/__init__.py +19 -0
- workflowparsers/fhivibes/metainfo/fhi_vibes.py +898 -0
- workflowparsers/fhivibes/parser.py +566 -0
- workflowparsers/lobster/__init__.py +19 -0
- workflowparsers/lobster/__main__.py +31 -0
- workflowparsers/lobster/metainfo/__init__.py +19 -0
- workflowparsers/lobster/metainfo/lobster.py +446 -0
- workflowparsers/lobster/parser.py +618 -0
- workflowparsers/phonopy/__init__.py +19 -0
- workflowparsers/phonopy/__main__.py +31 -0
- workflowparsers/phonopy/calculator.py +260 -0
- workflowparsers/phonopy/metainfo/__init__.py +19 -0
- workflowparsers/phonopy/metainfo/phonopy.py +83 -0
- workflowparsers/phonopy/parser.py +583 -0
- workflowparsers/quantum_espresso_epw/__init__.py +19 -0
- workflowparsers/quantum_espresso_epw/__main__.py +31 -0
- workflowparsers/quantum_espresso_epw/metainfo/__init__.py +19 -0
- workflowparsers/quantum_espresso_epw/metainfo/quantum_espresso_epw.py +579 -0
- workflowparsers/quantum_espresso_epw/parser.py +583 -0
- workflowparsers/quantum_espresso_phonon/__init__.py +19 -0
- workflowparsers/quantum_espresso_phonon/__main__.py +31 -0
- workflowparsers/quantum_espresso_phonon/metainfo/__init__.py +19 -0
- workflowparsers/quantum_espresso_phonon/metainfo/quantum_espresso_phonon.py +389 -0
- workflowparsers/quantum_espresso_phonon/parser.py +483 -0
- workflowparsers/quantum_espresso_xspectra/__init__.py +19 -0
- workflowparsers/quantum_espresso_xspectra/__main__.py +31 -0
- workflowparsers/quantum_espresso_xspectra/metainfo/__init__.py +19 -0
- workflowparsers/quantum_espresso_xspectra/metainfo/quantum_espresso_xspectra.py +290 -0
- workflowparsers/quantum_espresso_xspectra/parser.py +586 -0
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#
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# Copyright The NOMAD Authors.
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#
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# This file is part of NOMAD.
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# See https://nomad-lab.eu for further info.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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#
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from .parser import FHIVibesParser
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#
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# Copyright The NOMAD Authors.
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#
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# This file is part of NOMAD.
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# See https://nomad-lab.eu for further info.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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#
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import sys
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import json
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import logging
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from nomad.utils import configure_logging
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from nomad.datamodel import EntryArchive
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from workflowparsers.fhivibes import FHIVibesParser
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if __name__ == '__main__':
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configure_logging(console_log_level=logging.DEBUG)
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archive = EntryArchive()
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FHIVibesParser().parse(sys.argv[1], archive, logging)
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json.dump(archive.m_to_dict(), sys.stdout, indent=2)
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#
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# Copyright The NOMAD Authors.
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#
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# This file is part of NOMAD.
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# See https://nomad-lab.eu for further info.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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#
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from . import fhi_vibes
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