Added the xml file used to create the input metadata.

.gitignore

@@ -65,7 +65,7 @@ test/**/*.wfn.bak-1
 test/**/*.wfn.bak-2
 test/**/*.wfn.bak-3
 test/**/*.png
-parser/parser-cp2k/cp2kparser/versions/**/input_data/*.xml
+#parser/parser-cp2k/cp2kparser/versions/**/input_data/*.xml
 parser/parser-cp2k/cp2kparser/versions/**/input_data/*.html
 test/unittests/BASIS_SET
 test/unittests/GTH_POTENTIALS

test/unittests/cp2k_2.6.2/callgraph.py

-# from pycallgraph import PyCallGraph
-# from pycallgraph.output import GraphvizOutput
+from pycallgraph import PyCallGraph
+from pycallgraph.output import GraphvizOutput
 from cp2kparser import CP2KParser
 
-# with PyCallGraph(output=GraphvizOutput()):
-
-filepath = "/home/lauri/Dropbox/nomad-dev/nomad-lab-base/parsers/cp2k/test/unittests/cp2k_2.6.2/energy_force/unittest.out"
-parser = CP2KParser(filepath)
-parser.parse()
+with PyCallGraph(output=GraphvizOutput()):
+    filepath = "/home/lauri/Dropbox/nomad-dev/nomad-lab-base/parsers/cp2k/test/unittests/cp2k_2.6.2/energy_force/unittest.out"
+    parser = CP2KParser(filepath)
+    parser.parse()