diff --git a/README.md b/README.md index ced225483f21573e33511fd9e03b2d29f5b635d2..c9d6b6a2ce5cf46733456e89a181b728e099e7c4 100644 --- a/README.md +++ b/README.md @@ -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 elastic please provide at least the files from this table if applicable to your +For ElaStic 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 -normalize_all(backend) +normalize_all(archive) # 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-elastic ``` Running the parser now, will use the parser's Python code from the clone project. + + diff --git a/metadata.yaml b/metadata.yaml new file mode 100644 index 0000000000000000000000000000000000000000..52e2fbeabdf7beb1b02cf5999547499fc8b5d13b --- /dev/null +++ b/metadata.yaml @@ -0,0 +1,7 @@ +codeLabel: ElaStic +codeLabelStyle: 'capitals: E, S. This is part of the exciting project' +codeUrl: http://exciting-code.org/elastic +parserDirName: dependencies/parsers/elastic/ +parserGitUrl: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-elastic +parserSpecific: '' +tableOfFiles: '' diff --git a/metadata.yml b/metadata.yml deleted file mode 100644 index d724574b213c912a724cc8fa93ce9139bf8084ce..0000000000000000000000000000000000000000 --- a/metadata.yml +++ /dev/null @@ -1,7 +0,0 @@ -code-label: ElaStic -code-label-style: 'capitals: E, S. This is part of the exciting project' -code-url: http://exciting-code.org/elastic -parser-dir-name: dependencies/parsers/elastic/ -parser-git-url: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-elastic -parser-specific: '' -table-of-files: ''