polishing

python/damask/_result.py

@@ -1766,13 +1766,16 @@ class Result:
             Defaults to False.
 
         """
-        with h5py.File(self.fname,'r') as f_in:
-            for out in _match(output,f_in['setup'].keys()):
-                description = f_in['/'.join(('setup',out))].attrs['description']
-                if not h5py3: description = description.decode()
-                if not Path(out).exists() or overwrite:
-                    with open(out,'w') as f_out:
-                        f_out.write(f_in['/'.join(('setup',out))][()].decode())
-                    print(f"exported {description} to '{out}'")
+        def export(name,obj,output,overwrite):
+            if type(obj) == h5py.Dataset and  _match(output,[name]):
+                d = obj.attrs['description'] if h5py3 else obj.attrs['description'].decode()
+                if not Path(name).exists() or overwrite:
+                    with open(name,'w') as f_out: f_out.write(obj[()].decode())
+                    print(f"Exported {d} to '{name}'.")
                 else:
-                    print(f"'{out}' exists, {description} not exported")
+                    print(f"'{name}' exists, {d} not exported.")
+            elif type(obj) == h5py.Group:
+                os.makedirs(name, exist_ok=True)
+
+        with h5py.File(self.fname,'r') as f_in:
+            f_in['setup'].visititems(partial(export,output=output,overwrite=overwrite))

src/config.f90

@@ -84,7 +84,7 @@ subroutine parse_numerics()
       print*, 'reading numerics.yaml'; flush(IO_STDOUT)
       fileContent = IO_read('numerics.yaml')
       call results_openJobFile(parallel=.false.)
-      call results_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration (optional)')
+      call results_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration')
       call results_closeJobFile
     endif
     call parallelization_bcast_str(fileContent)
@@ -114,7 +114,7 @@ subroutine parse_debug()
       print*, 'reading debug.yaml'; flush(IO_STDOUT)
       fileContent = IO_read('debug.yaml')
       call results_openJobFile(parallel=.false.)
-      call results_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration (optional)')
+      call results_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration')
       call results_closeJobFile
     endif
     call parallelization_bcast_str(fileContent)

src/results.f90

@@ -94,10 +94,10 @@ subroutine results_init(restart)
     call get_command(commandLine)
     call results_addAttribute('call (restart at '//date//')',trim(commandLine))
     call h5gmove_f(resultsFile,'setup','tmp',hdferr)
-    call results_addAttribute('description','input data used to run the simulation (backup from restart at '//date//')','tmp')
+    call results_addAttribute('description','input data used to run the simulation up to restart at '//date,'tmp')
     call results_closeGroup(results_addGroup('setup'))
     call results_addAttribute('description','input data used to run the simulation','setup')
-    call h5gmove_f(resultsFile,'tmp','setup/backup',hdferr)
+    call h5gmove_f(resultsFile,'tmp','setup/previous',hdferr)
   endif
 
   call results_closeJobFile