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Initial abinit parser
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8 files changed

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-75
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8 files changed

+949
-75
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pyproject.toml

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@@ -124,6 +124,8 @@ where = ["src"]
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[tool.setuptools_scm]
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[project.entry-points.'nomad.plugin']
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abinit_parser_entry_point = "nomad_simulation_parsers.parsers:abinit_parser_entry_point"
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abinit_schema_package_entry_point = "nomad_simulation_parsers.schema_packages:abinit_schema_package_entry_point"
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ams_parser_entry_point = "nomad_simulation_parsers.parsers:ams_parser_entry_point"
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ams_schema_package_entry_point = "nomad_simulation_parsers.schema_packages:ams_schema_package_entry_point"
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exciting_parser_entry_point = "nomad_simulation_parsers.parsers:exciting_parser_entry_point"

src/nomad_simulation_parsers/parsers/__init__.py

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@@ -34,15 +34,15 @@ class Wannier90ParserEntryPoint(EntryPoint):
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'equal.',
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)
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ams_parser_entry_point = EntryPoint(
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name='parsers/ams',
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aliases=['parsers/ams'],
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description='NOMAD parser for AMS.',
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abinit_parser_entry_point = EntryPoint(
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name='parsers/abinit',
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aliases=['parsers/abinit'],
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description='NOMAD parser for ABINIT.',
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mainfile_contents_re=r'^\n*\.Version\s*[0-9.]*\s*of ABINIT\s*',
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python_package='nomad_simulation_parsers',
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mainfile_contents_re=r'\* +\| +A M S +\| +\*',
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parser_class_name='nomad_simulation_parsers.parsers.ams.parser.AMSParser',
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code_name='AMS',
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code_homepage='https://www.scm.com',
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parser_class_name='nomad_simulation_parsers.parsers.abinit.parser.AbinitParser',
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code_name='ABINIT',
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code_homepage='https://www.abinit.org/',
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)
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