From 342f391804c7fa7de28ddea5eb80ee9402758fab Mon Sep 17 00:00:00 2001 From: temok-mx <temok.mx@gmail.com> Date: Fri, 11 Sep 2020 17:37:41 +0200 Subject: [PATCH] Further update of README.md; mv metadata.yml -> metadata.yaml --- README.md | 10 ++++++---- metadata.yml => metadata.yaml | 14 +++++++------- 2 files changed, 13 insertions(+), 11 deletions(-) rename metadata.yml => metadata.yaml (65%) diff --git a/README.md b/README.md index 05f7123..0902bf6 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 abinit please provide at least the files from this table if applicable to your +For ABINIT please provide at least the files from this table if applicable to your calculations (remember that you can provide more files if you want): |Input Filename| Description| @@ -59,12 +59,12 @@ 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() @@ -86,3 +86,5 @@ pip install -e parser-abinit ``` Running the parser now, will use the parser's Python code from the clone project. + + diff --git a/metadata.yml b/metadata.yaml similarity index 65% rename from metadata.yml rename to metadata.yaml index 37b4166..31e9ace 100644 --- a/metadata.yml +++ b/metadata.yaml @@ -1,10 +1,10 @@ -code-label: 'ABINIT' -code-label-style: all in capitals -code-url: https://www.abinit.org/ -parser-dir-name: dependencies/parsers/abinit/ -parser-git-url: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-abinit -parser-specific: '' -table-of-files: | +codeLabel: 'ABINIT' +codeLabelStyle: all in capitals +codeUrl: https://www.abinit.org/ +parserDirName: dependencies/parsers/abinit/ +parserGitUrl: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-abinit +parserSpecific: '' +tableOfFiles: | |Input Filename| Description| |--- | --- | |`*.out` | **Mainfile:** a plain text file w/ **user-defined** name| -- GitLab