Initial skeleton implementation.

.gitignore

+# use glob syntax.
+syntax: glob
+*~
+*.bak
+*.off
+*.old
+*.pyc
+*.bk
+*.swp
+.DS_Store
+__pycache__/
+
+# logging files
+detailed.log
+
+# eclipse conf file
+.settings
+.classpath
+.project
+.manager
+.scala_dependencies
+
+# idea
+.idea
+*.iml
+
+# building
+target
+build
+null
+tmp*
+temp*
+dist
+test-output
+build.log
+
+# other scm
+.svn
+.CVS
+.hg*
+
+# switch to regexp syntax.
+#  syntax: regexp
+#  ^\.pc/
+
+#SHITTY output not in target directory
+build.log
+
+#emacs TAGS
+TAGS
+
+lib/
+env/
+
+# Setuptools install folder
+photoemissionparser.egg-info/
+
+.directory
+*.annotate
+
+test.json

README.md

 # parser-photoemission
 
+## Setup and run example
+
+We are currently targeting Python 3.6
+
+Best use a virtual environment:
+```
+virtualenv -p python3 .pyenv
+source .pyenv/bin/activate
+```
+
+Clone and install the nomad infrastructure and the necessary dependencies (including this parser)
+```
+git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR nomad
+git submodule update --init
+pip install -r requirements.txt
+./dependencies.sh -e
+```
+
+To run the parser:
+```
+cd nomad/dependencies/parser/photoemission
+python -m photoemissionparser <test_file>
+```
+
+## Docs
+
+[metainfo](https://metainfo.nomad-coe.eu/nomadmetainfo_public/archive.html)
+
+[nomad@fairdi, tmp.](http://enc-staging-nomad.esc.rzg.mpg.de/fairdi/nomad/migration/docs)

photoemissionparser/__init__.py

+# Copyright 2016-2018 R. Patrick Xian
+#   Licensed under the Apache License, Version 2.0 (the "License");
+#   you may not use this file except in compliance with the License.
+#   You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+#   Unless required by applicable law or agreed to in writing, software
+#   distributed under the License is distributed on an "AS IS" BASIS,
+#   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+#   See the License for the specific language governing permissions and
+#   limitations under the License.
+
+import sys
+import os.path
+
+from nomadcore.simple_parser import SimpleMatcher
+from nomadcore.baseclasses import ParserInterface, AbstractBaseParser
+
+from nomad.parsing import LocalBackend
+
+
+class PhotoemissionParserInterface(ParserInterface):
+
+    def get_metainfo_filename(self):
+        """ The parser specific metainfo. This file must be part of the nomad-meta-info. """
+        return os.path.join(os.path.dirname(__file__), 'photoemission.nomadmetainfo.json')
+
+    def get_parser_info(self):
+        """ Basic info about parser used in archive data and logs. """
+        return {
+            'name': 'vaspoutcar_parser',
+            'version': '1.0.0'
+        }
+
+    def setup_version(self):
+        """ Can be used to call :func:`setup_main_parser` differently for different code versions. """
+        self.setup_main_parser(None)
+
+    def setup_main_parser(self, _):
+        """ Setup the actual parser (behind this interface) """
+        self.main_parser = PhotoemissionParser(self.parser_context)
+
+
+class PhotoemissionParser(AbstractBaseParser):
+    def parse(self, filepath):
+        backend = self.parser_context.super_backend
+
+        root_gid = backend.openSection('section_root')
+        backend.addValue('experiment_location', 'here...')
+        backend.closeSection('section_root', root_gid)

photoemissionparser/__main__.py

+# Copyright 2016-2018 R. Patrick Xian
+#   Licensed under the Apache License, Version 2.0 (the "License");
+#   you may not use this file except in compliance with the License.
+#   You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+#   Unless required by applicable law or agreed to in writing, software
+#   distributed under the License is distributed on an "AS IS" BASIS,
+#   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+#   See the License for the specific language governing permissions and
+#   limitations under the License.
+
+import sys
+
+from nomad.parsing import LocalBackend
+from photoemissionparser import PhotoemissionParserInterface
+
+if __name__ == "__main__":
+    # instantiate the parser via its interface with a LocalBackend
+    parser = PhotoemissionParserInterface(backend=LocalBackend)
+    # call the actual parsing with the given mainfile
+    parser.parse(sys.argv[1])
+    # print the results stored in the LocalBackend
+    parser.parser_context.super_backend.write_json(
+        sys.stdout, pretty=True, root_sections=['section_root'])

photoemissionparser/photoemission.nomadmetainfo.json

+{
+    "type": "nomad_meta_info_1_0",
+    "description": "Public experimental material science meta info, not specific to any experimental method",
+    "metaInfos": [ {
+        "description": "Root section that contains all information about an experiment",
+        "kindStr": "type_section",
+        "name": "section_root",
+        "superNames": []
+      }, {
+        "description": "Contains information relating to an archive.",
+        "name": "experiment_location",
+        "dtypeStr": "C",
+        "superNames": ["section_root"]
+      }
+    ]
+  }

setup.py

+# Copyright 2016-2018 R. Patrick Xian
+#   Licensed under the Apache License, Version 2.0 (the "License");
+#   you may not use this file except in compliance with the License.
+#   You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+#   Unless required by applicable law or agreed to in writing, software
+#   distributed under the License is distributed on an "AS IS" BASIS,
+#   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+#   See the License for the specific language governing permissions and
+#   limitations under the License.
+
+from setuptools import setup, find_packages
+
+
+def main():
+    setup(
+        name='photoemissionparser',
+        version='0.1',
+        description='NOMAD parser implementation for photoemission experiment files.',
+        author='',
+        license='APACHE 2.0',
+        packages=find_packages(),
+        install_requires=[
+            'nomadcore'
+        ],
+    )
+
+
+if __name__ == '__main__':
+    main()