Planned maintenance on Wednesday, 2021-01-20, 17:00-18:00. Expect some interruptions during that time

Commit cd095cff authored by temok-mx's avatar temok-mx

Further update of; mv metadata.yml -> metadata.yaml

parent 2204a2a9
......@@ -13,7 +13,7 @@ in the same directory as files that also belong to that entry. Parsers
might also read information from these auxillary files. This way you can add more files
to an entry, even if the respective parser/code might not directly support it.
For dl-poly please provide at least the files from this table if applicable to your
For DL_POLY please provide at least the files from this table if applicable to your
calculations (remember that you can provide more files if you want):
......@@ -49,12 +49,12 @@ import sys
from nomad.cli.parse import parse, normalize_all
# match and run the parser
backend = parse(sys.argv[1])
archive = parse(sys.argv[1])
# run all normalizers
# get the 'main section' section_run as a metainfo object
section_run = backend.resource.contents[0].section_run[0]
section_run = archive.section_run[0]
# get the same data as JSON serializable Python dict
python_dict = section_run.m_to_dict()
......@@ -76,3 +76,5 @@ pip install -e parser-dl-poly
Running the parser now, will use the parser's Python code from the clone project.
codeLabel: DL_POLY
codeLabelStyle: all capitals and underscore, not dash (minus)
parserDirName: dependencies/parsers/dl-poly/
parserSpecific: ''
tableOfFiles: ''
code-label: DL_POLY
code-label-style: all capitals and underscore, not dash (minus)
parser-dir-name: dependencies/parsers/dl-poly/
parser-specific: ''
table-of-files: ''
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment