renamed quantum espresso file.

.gitmodules

@@ -45,3 +45,6 @@
 [submodule "dependencies/parsers/gaussian"]
 	path = dependencies/parsers/gaussian
 	url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-gaussian
+[submodule "dependencies/parsers/quantum-espresso"]
+	path = dependencies/parsers/quantum-espresso
+	url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-quantum-espresso

gaussian @ 02c301eb

-Subproject commit f68330c5fd3686f49f4a6d708fbf4d921eaa73c7
+Subproject commit 02c301eb0621d8676e46d4d86ac1ed85a9531eb3

quantum-espresso @ 07116308

+Subproject commit 07116308f277bcb18f215b44af1e7418dccfe338

wien2k @ 7547643f

-Subproject commit 03899751624694c7099d5bc3e5b48971d924bc32
+Subproject commit 7547643f594f612752e0d96d77fd3705c2a809b2

nomad/normalizing/repository.py

@@ -69,8 +69,6 @@ class RepositoryNormalizer(Normalizer):
         except BadContextURI:
             b.openNonOverlappingSection('section_repository_info')
             repository_info_context = None
-        with open("test_file_inside_repopy_normalizer.json", "wt") as file:
-            b.write_json(file)
         b.openNonOverlappingSection('section_repository_parserdata')
 
         b.addValue('repository_checksum', b.get_value('calc_hash', 0))

nomad/parsing/__init__.py

@@ -200,6 +200,17 @@ parsers = [
             r'\s\*\*\*\*\*\*\*\*\*\*\*\**'
             r'\s*Gaussian\s*(?P<program_version>[0-9]+):\s*(?P<x_gaussian_program_implementation>[A-Za-z0-9-.]+)\s*(?P<x_gaussian_program_release_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)'
             r'\s*(?P<x_gaussian_program_execution_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)')
+    ),
+    LegacyParser(
+        name='parsers/quantumespresso',
+        parser_class_name='gaussianparser.GaussianParser',
+        main_file_re=r'^.*\.out$',
+        main_contents_re=(
+            r'\s*Cite this work as:'
+            r'\s*Gaussian [0-9]+, Revision [A-Za-z0-9.]*,'
+            r'\s\*\*\*\*\*\*\*\*\*\*\*\**'
+            r'\s*Gaussian\s*(?P<program_version>[0-9]+):\s*(?P<x_gaussian_program_implementation>[A-Za-z0-9-.]+)\s*(?P<x_gaussian_program_release_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)'
+            r'\s*(?P<x_gaussian_program_execution_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)')
     )
 ]