Added metainfo python code.

octopusparser/metainfo/__init__.py

+import sys
+from nomad.metainfo import Environment
+from nomad.metainfo.legacy import LegacyMetainfoEnvironment
+import octopusparser.metainfo.octopus
+import nomad.datamodel.metainfo.common
+import nomad.datamodel.metainfo.public
+import nomad.datamodel.metainfo.general
+import octopusparser.metainfo.octopus_autogenerated
+
+m_env = LegacyMetainfoEnvironment()
+m_env.m_add_sub_section(Environment.packages, sys.modules['octopusparser.metainfo.octopus'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.common'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.public'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['octopusparser.metainfo.octopus_autogenerated'].m_package)  # type: ignore

octopusparser/metainfo/octopus.py

+import numpy as np            # pylint: disable=unused-import
+import typing                 # pylint: disable=unused-import
+from nomad.metainfo import (  # pylint: disable=unused-import
+    MSection, MCategory, Category, Package, Quantity, Section, SubSection, SectionProxy,
+    Reference
+)
+from nomad.metainfo.legacy import LegacyDefinition
+
+from nomad.datamodel.metainfo import public
+
+m_package = Package(
+    name='octopus_nomadmetainfo_json',
+    description='None',
+    a_legacy=LegacyDefinition(name='octopus.nomadmetainfo.json'))
+
+
+class section_single_configuration_calculation(public.section_single_configuration_calculation):
+
+    m_def = Section(validate=False, extends_base_section=True, a_legacy=LegacyDefinition(name='section_single_configuration_calculation'))
+
+    x_octopus_info_energy_ion_ion = Quantity(
+        type=np.dtype(np.float64),
+        shape=[],
+        description='''
+        ion-ion interaction energy
+        ''',
+        a_legacy=LegacyDefinition(name='x_octopus_info_energy_ion_ion'))
+
+
+class section_run(public.section_run):
+
+    m_def = Section(validate=False, extends_base_section=True, a_legacy=LegacyDefinition(name='section_run'))
+
+    x_octopus_info_scf_converged_iterations = Quantity(
+        type=np.dtype(np.int32),
+        shape=[],
+        description='''
+        number of scf iterations to converge calculation
+        ''',
+        a_legacy=LegacyDefinition(name='x_octopus_info_scf_converged_iterations'))
+
+    x_octopus_log_svn_revision = Quantity(
+        type=np.dtype(np.int32),
+        shape=[],
+        description='''
+        octopus svn revision
+        ''',
+        a_legacy=LegacyDefinition(name='x_octopus_log_svn_revision'))
+
+
+m_package.__init_metainfo__()