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nomad-lab
parser-qbox
Commits
163e232f
Commit
163e232f
authored
Sep 11, 2020
by
temok-mx
Browse files
Further update of README.md; mv metadata.yml -> metadata.yaml
parent
50dab592
Changes
3
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README.md
View file @
163e232f
...
...
@@ -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
q
box please provide at least the files from this table if applicable to your
For
Q
box 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-qbox
```
Running the parser now, will use the parser's Python code from the clone project.
metadata.yaml
0 → 100644
View file @
163e232f
codeLabel
:
Qbox
codeLabelStyle
:
'
Capitals:
Q'
codeUrl
:
http://qboxcode.org/
parserDirName
:
dependencies/parsers/qbox/
parserGitUrl
:
https://gitlab.mpcdf.mpg.de/nomad-lab/parser-qbox
parserSpecific
:
'
'
tableOfFiles
:
'
'
metadata.yml
deleted
100644 → 0
View file @
50dab592
code-label
:
Qbox
code-label-style
:
'
Capitals:
Q'
code-url
:
http://qboxcode.org/
parser-dir-name
:
dependencies/parsers/qbox/
parser-git-url
:
https://gitlab.mpcdf.mpg.de/nomad-lab/parser-qbox
parser-specific
:
'
'
table-of-files
:
'
'
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