number_of_electrons must be an array, not a number... do not parse in the...

number_of_electrons must be an array, not a number... do not parse in the moment.  Update scala tests adding smeagol stuff.

parser/parser-siesta/main.py

@@ -553,8 +553,9 @@ def get_input_matcher():
                context.multi_sm('auto_unit_cell_ang',
                                 r'siesta: Automatic unit cell vectors \(Ang\):',
                                 r'siesta:\s*(\S+)\s*(\S+)\s*(\S+)'),
-               SM(r'Total number of electrons:\s*(?P<number_of_electrons>\S+)',
-                  name='nelectrons'),
+               # XXX must be an array with number of spin channels!
+               #SM(r'Total number of electrons:\s*(?P<number_of_electrons>\S+)',
+               #   name='nelectrons'),
        ])
     return m
 

src/main/scala/eu/nomad_lab/parsers/SiestaParser.scala

@@ -27,6 +27,7 @@ object SiestaParser extends SimpleExternalParserGenerator(
     "${mainFilePath}"),
   resList = Seq(
     "parser-siesta/main.py",
+    "parser-siesta/inputvars.py",
     "parser-siesta/util.py",
     "parser-siesta/setup_paths.py",
     "nomad_meta_info/public.nomadmetainfo.json",

src/test/scala/eu/nomad_lab/parsers/SiestaParserSpec.scala

@@ -34,5 +34,23 @@ object SiestaParserSpec extends Specification {
     "test Fe with json" >> {
       ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/Fe/out", "json") must_== ParseResult.ParseSuccess
     }
+    "test MgO with json-events" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/MgO/out", "json-events") must_== ParseResult.ParseSuccess
+    }
+    "test MgO with json" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/MgO/out", "json") must_== ParseResult.ParseSuccess
+    }
+    "test smeagol-Au-leads with json-events" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/smeagol-Au-leads/Au.out", "json-events") must_== ParseResult.ParseSuccess
+    }
+    "test smeagol-Au-leads with json" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/smeagol-Au-leads/Au.out", "json") must_== ParseResult.ParseSuccess
+    }
+    "test smeagol-Au-scregion with json-events" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/smeagol-Au-scregion/Au.out", "json-events") must_== ParseResult.ParseSuccess
+    }
+    "test smeagol-Au-scregion with json" >> {
+      ParserRun.parse(SiestaParser, "parsers/siesta/test/examples/smeagol-Au-scregion/Au.out", "json") must_== ParseResult.ParseSuccess
+    }
   }
 }