Updated code list and info dialog in upload gui. #394

octopus @ f6efba08

-Subproject commit 445099300b4407a7ea280c7095737b9a079465b1
+Subproject commit f6efba081da47e47d4cfe057bcb96745f607c808

phonopy @ 59ecd6cd

-Subproject commit 4ee1175ae8ac56a29430ca72325fdcd998bf2a98
+Subproject commit 59ecd6cddb2bbf75000a1454fe40ceace2d2c207

gui/src/components/About.js

@@ -18,13 +18,26 @@ function CodeInfo({code, ...props}) {
 
   const metadata = parserMetadata[code]
 
+  let introduction = `
+    For [${metadata.codeLabel || code}](${metadata.codeUrl}) please provide
+    all files that were used as input, were output by the code, or were produced you.
+  `
+  if (metadata.tableOfFiles && metadata.tableOfFiles !== '') {
+    introduction = `
+      For [${metadata.codeLabel || code}](${metadata.codeUrl}) please provide at least
+      the files from the following table (if applicable). Ideally, you upload
+      all files that were used as input, were output by the code, or were produced you.
+    `
+  }
+
   return <Dialog open={true} {...props}>
     <DialogTitle>{metadata.codeLabel || code}</DialogTitle>
     <DialogContent>
       <Markdown>{`
-        For [${metadata.codeLabel || code}](${metadata.codeUrl}) please provide at least
-        the files from this table if applicable to your calculations. But please upload
-        all files that were produced by the code or you to make your data FAIR.
+        ${introduction} NOMAD will present all files in the same directory for each
+        recognized calculation. This works best, if you put all files that belong to
+        individual code runs into individual directories or only combine files from a few
+        runs in the same directory.
 
         ${metadata.tableOfFiles}
 

gui/src/components/uploads/Upload.js

@@ -162,8 +162,7 @@ class Upload extends React.Component {
       textAlign: 'right'
     },
     icon: {
-      marginLeft: -theme.spacing(1) * 0.5,
-      width: theme.spacing(13) - 2,
+      marginRight: theme.spacing(2),
       alignItems: 'center',
       display: 'flex'
     },

gui/src/components/uploads/UploadPage.js

@@ -277,8 +277,6 @@ class UploadPage extends React.Component {
           uploads</b> simultaneously. Your uploaded data is not published right away.
           Find more details about uploading data in our <Link href={`${appBase}/docs/upload.html`}>documentation</Link> or visit
           our <Link href="https://nomad-lab.eu/repository-archive-faqs">FAQs</Link>.
-        </Typography>
-        <Typography>
           The following codes are supported: <CodeList withUploadInstructions />. Click
           the code to get more specific information about how to prepare your files.
         </Typography>

nomad/cli/dev.py

@@ -186,12 +186,16 @@ def parser_metadata():
 
         path_match = re.match(r'(.*/dependencies/parsers/[^/]+)/.*', parser_code_file)
         if path_match:
-            parser_metadata_file = os.path.join(path_match.group(1), 'metadata.yml')
+            parser_metadata_file = os.path.join(path_match.group(1), 'metadata.yaml')
             if os.path.exists(parser_metadata_file):
                 with open(parser_metadata_file) as f:
                     parser_metadata = yaml.load(f, Loader=yaml.FullLoader)
                 parsers_metadata[parser.code_name] = parser_metadata
 
+    parsers_metadata = {
+        key: parsers_metadata[key]
+        for _, key in sorted([(key.lower(), key) for key in parsers_metadata], key=lambda x: x[0])}
+
     print(json.dumps(parsers_metadata, indent=2))
 
 

nomad/config.py

@@ -50,8 +50,8 @@ except ImportError:
     from nomad import gitinfo
 
 
-warnings.filterwarnings("ignore", message="numpy.dtype size changed")
-warnings.filterwarnings("ignore", message="numpy.ufunc size changed")
+warnings.filterwarnings('ignore', message='numpy.dtype size changed')
+warnings.filterwarnings('ignore', message='numpy.ufunc size changed')
 
 
 class NomadConfig(dict):