Added Turbomole parser, not working.

.gitmodules

@@ -97,3 +97,6 @@
 [submodule "dependencies/parsers/gamess"]
 	path = dependencies/parsers/gamess
 	url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-gamess
+[submodule "dependencies/parsers/turbomole"]
+	path = dependencies/parsers/turbomole
+	url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-turbomole

.vscode/launch.json

@@ -207,6 +207,16 @@
         "-sv", "tests/test_normalizing.py::test_normalizer[parsers/gulp-tests/data/parsers/gulp/example6.got]"
       ]
     },
+    {
+      "name": "Turbomole Normalizer",
+      "type": "python",
+      "request": "launch",
+      "cwd": "${workspaceFolder}",
+      "program": "${workspaceFolder}/.pyenv/bin/pytest",
+      "args": [
+        "-sv", "tests/test_normalizing.py::test_normalizer[parsers/turbomole-tests/data/parsers/turbomole/acrolein.out]"
+      ]
+    },
     {
       "name": "Python: Current File",
       "type": "python",

gulp @ 3b199d1f

-Subproject commit ceb9a09e031016b0fc366667d79c9b44ea8a5c7f
+Subproject commit 3b199d1f17f9cdf94e08fc5a3b46e2895147463d

siesta @ 7505b8b1

-Subproject commit 63c5268677f9dfd6a75ee5a8816778975c97109f
+Subproject commit 7505b8b16035ec22025875bb6dfbe22f812ddcdd

turbomole @ 1ee9e073

+Subproject commit 1ee9e073c014203efbe7d54acfaa20522c263aeb

nomad/parsing/__init__.py

@@ -351,9 +351,14 @@ parsers = [
             r'\s*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\**\s*'
             r'\s*\*\s*GAMESS VERSION =\s*(.*)\*\s*'
             r'\s*\*\s*FROM IOWA STATE UNIVERSITY\s*\*\s*')
+    ),
+    LegacyParser(
+        name='parsers/turbomole',
+        parser_class_name='turbomoleparser.TurbomoleParser',
+        mainfile_contents_re=(
+            r'\s*(P?<progr>[a-zA-z0-9_]+)\s*(?:\([^()]+\))\s*:\s*TURBOMOLE\s*(P?<version>.*)'
+            r'\s*Copyright \(C\) [0-9]+ TURBOMOLE GmbH, Karlsruhe')
     )
-
-
 ]
 
 """ Instanciation and constructor based config of all parsers. """

tests/test_parsing.py

@@ -57,6 +57,7 @@ parser_examples = [
     # ('parsers/siesta', 'tests/data/parsers/siesta/Fe/out'),  # Issue with dir.
     ('parsers/elk', 'tests/data/parsers/elk/Al/info.out'),
     # ('parsers/elastic', 'tests/data/parsers/elastic/2nd/INFO_ElaStic')  # 70Mb file 2big4git
+    # ('parsers/turbomole', 'tests/data/parsers/turbomole/acrolein.out')  # Issue with backend
     ('parsers/gamess', 'tests/data/parsers/gamess/exam01.out')
 ]
 
@@ -64,7 +65,7 @@ faulty_unknown_one_d_matid_example = [
     ('parsers/template', 'tests/data/normalizers/no_sim_cell_boolean_positions.json')
 ]
 
-correct_num_output_files = 32
+correct_num_output_files = 33
 
 
 class TestLocalBackend(object):
@@ -307,7 +308,5 @@ def test_match(raw_files, no_warn):
         parser = match_parser(mainfile, upload_files)
         if parser is not None:
             count += 1
-        else:
-            print("filename not matched is %s" % mainfile)
 
     assert count == correct_num_output_files