From 1dcadec2e970ba64888b1f6892560d4c62cb6e14 Mon Sep 17 00:00:00 2001
From: temok-mx <temok.mx@gmail.com>
Date: Fri, 11 Sep 2020 17:37:42 +0200
Subject: [PATCH] Further update of README.md; mv metadata.yml -> metadata.yaml

---
 README.md     | 10 ++++++----
 metadata.yaml |  6 ++++++
 metadata.yml  |  6 ------
 3 files changed, 12 insertions(+), 10 deletions(-)
 create mode 100644 metadata.yaml
 delete mode 100644 metadata.yml

diff --git a/README.md b/README.md
index 15d8922..8c1ba66 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 charmm please provide at least the files from this table if applicable to your
+For CHARMM 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-charmm
 ```
 
 Running the parser now, will use the parser's Python code from the clone project.
+
+$parserSpecific$
diff --git a/metadata.yaml b/metadata.yaml
new file mode 100644
index 0000000..5b9cdcd
--- /dev/null
+++ b/metadata.yaml
@@ -0,0 +1,6 @@
+codeLabel: CHARMM
+codeLabelStyle: all in capitals
+codeUrl: https://www.charmm.org/charmm/
+parserDirName: dependencies/parsers/charmm/
+parserGitUrl: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-charmm
+tableOfFiles: ''
diff --git a/metadata.yml b/metadata.yml
deleted file mode 100644
index fa825e1..0000000
--- a/metadata.yml
+++ /dev/null
@@ -1,6 +0,0 @@
-code-label: CHARMM
-code-label-style: all in capitals
-code-url: https://www.charmm.org/charmm/
-parser-dir-name: dependencies/parsers/charmm/
-parser-git-url: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-charmm
-table-of-files: ''
-- 
GitLab