Implemented basic siesta parser

siesta @ d8e29864

-Subproject commit c9e2bd0c179e85d881594c68cc2c0d53f3e59bf4
+Subproject commit d8e2986420f101011eddf3571f5bd6d076f972fd

nomad/parsing/file_parser/basic_parser.py

@@ -197,10 +197,12 @@ class BasicParser(FairdiParser):
 
                 if 'atom_labels' in key:
                     val = get_value(value, r'([A-Z][a-z]*)\s', 'atom_labels')
+                    val = [val] if isinstance(val, str) else val
                     set_value(sec_system, 'atom_labels', val, shape=(len(val)), dtype=str)
 
                 if 'atom_atom_number' in key:
                     val = get_value(value, r'(\d+)\s', 'atom_atom_number')
+                    val = [val] if isinstance(val, str) else val
                     set_value(sec_system, 'atom_atom_number', val, shape=(len(val)), dtype=np.int32)
                     set_value(sec_system, 'atom_labels', [chemical_symbols[int(n)] for n in sec_system.atom_atom_number], shape=(len(val)))
 

nomad/parsing/parsers.py

@@ -65,6 +65,7 @@ from molcasparser import MolcasParser
 from mopacparser import MopacParser
 from namdparser import NAMDParser
 from onetepparser import OnetepParser
+from siestaparser import SiestaParser
 
 try:
     # these packages are not available without parsing extra, which is ok, if the
@@ -190,13 +191,7 @@ parsers = [
         mainfile_mime_re=r'application/octet-stream'
     ),
     GulpParser(),
-    LegacyParser(
-        name='parsers/siesta', code_name='Siesta', code_homepage='https://departments.icmab.es/leem/siesta/',
-        parser_class_name='siestaparser.SiestaParser',
-        mainfile_contents_re=(
-            r'(Siesta Version: siesta-|SIESTA [0-9]\.[0-9]\.[0-9])|'
-            r'(\*\s*WELCOME TO SIESTA\s*\*)')
-    ),
+    SiestaParser(),
     ElkParser(),
     ElasticParser(),
     GamessParser(),

tests/normalizing/test_system.py

@@ -73,7 +73,8 @@ parser_exceptions = {
     'parsers/band': ['dft.system'],
     'parsers/qbox': ['dft.xc_functional'],
     'parsers/cpmd': ['formula', 'dft.basis_set', 'dft.xc_functional', 'dft.system'],
-    'parser/onetep': ['formula', 'dft.basis_set', 'dft.xc_functional', 'dft.system']
+    'parser/onetep': ['formula', 'dft.basis_set', 'dft.xc_functional', 'dft.system'],
+    'parsers/siesta': ['dft.basis_set', 'dft.xc_functional', 'dft.system']
 }
 '''
 Keys that the normalizer for certain parsers might not produce. In an ideal world this