pre-commit: add check-ast and fix Python-3 syntax errors where possible

.pre-commit-config.yaml

@@ -6,6 +6,11 @@ repos:
     hooks:
     -   id: check-yaml
     -   id: check-added-large-files
+    -   id: check-ast
+        exclude: >-
+          (?x)^(
+            tools/autotune_grid/xyz_to_vab/pyratemp.py|
+          )$
 -   repo: local
     hooks:
     -   id: prettify

tools/autotune_grid/xyz_to_vab/template_parser.py

@@ -8,7 +8,7 @@
 # Generate unrolled version of the xyz_to_vab routine
 #  for the most common la_max_local and lb_max_local combinations.
 # For those combinations whose unrolled code would be larger but
-#  still some optimisation is needed, an additional template 
+#  still some optimisation is needed, an additional template
 #  with less agressive loop unrolling can be specified
 #
 # Usage:
@@ -20,6 +20,9 @@
 
 
 # Range of values to generate the routine variants
+from __future__ import absolute_import
+from __future__ import print_function
+
 la_max_local_init = 0
 la_max_local_end = 4
 lb_max_local_init = 0
@@ -32,46 +35,43 @@
 import sys
 
 def load_template(template_filename):
-        """ Load the routine template string from a file and return the object """
-	# template_str = "\n".join([e.rstrip() for e in open(template_filename).readlines()])
-	return  pyratemp.Template(filename = template_filename)
+    """ Load the routine template string from a file and return the object """
+    # template_str = "\n".join([e.rstrip() for e in open(template_filename).readlines()])
+    return  pyratemp.Template(filename = template_filename)
 
 
 def create_ordered_pairs():
-        """ Create an ordered list with the most common combinations to the
-            XYZ_TO_VAB routine at the beggining.
-	    Most common values are:
-		(1, 0)--4275300
-		(1, 1)--4217600
-		(0, 0)--3878400
-		(0, 1)--3750300
-        """
-	# Order the most common cases
-	l = [ (1,0) , (1,1), (0,0), (0,1) ]
-        # The rest are appended as is
-	for i in range(0,la_max_local_end+1):
-	    for j in range(0,lb_max_local_end+1):
-		if not (i,j) in l:
-		    l.append((i,j,))
-	return l
+    """ Create an ordered list with the most common combinations to the
+        XYZ_TO_VAB routine at the beggining.
+        Most common values are:
+        (1, 0)--4275300
+        (1, 1)--4217600
+        (0, 0)--3878400
+        (0, 1)--3750300
+    """
+    # Order the most common cases
+    l = [ (1,0) , (1,1), (0,0), (0,1) ]
+    # The rest are appended as is
+    for i in range(0,la_max_local_end+1):
+        for j in range(0,lb_max_local_end+1):
+            if not (i,j) in l:
+                l.append((i,j,))
+    return l
 
 if __name__ == "__main__":
-	if len(sys.argv) != 3:
-	    print " Incorrect number of parameters "
-	    print " Usage: " + str(sys.argv[0]) + " <template_file> " + " <destination_file>"
-	    sys.exit(1)
+    if len(sys.argv) != 3:
+        print(" Incorrect number of parameters ")
+        print(" Usage: " + str(sys.argv[0]) + " <template_file> " + " <destination_file>")
+        sys.exit(1)
 
-	template_file_name = sys.argv[1]
-        output_file_name = sys.argv[2]
-	# Create a list of pairs ordered by probability
-	l = create_ordered_pairs()
-        # Initialize the templates
-	module_template = load_template(template_file_name) 
-	source_str = module_template(cray_tracing = False, 
-	   		         la_max_local=la_max_local_end,
-				 lb_max_local=lb_max_local_end,
-				 pairs = l)
-	source_file = open(output_file_name,'w+')
-	print >>source_file, source_str
+    template_file_name = sys.argv[1]
+    output_file_name = sys.argv[2]
+    # Create a list of pairs ordered by probability
+    l = create_ordered_pairs()
+    # Initialize the templates
+    module_template = load_template(template_file_name)
+    source_str = module_template(cray_tracing = False, la_max_local=la_max_local_end, lb_max_local=lb_max_local_end, pairs = l)
+    source_file = open(output_file_name,'w+')
+    print(source_str, file=source_file)
 
-        source_file.close()
+    source_file.close()

tools/benchmark_plots/plot_benchmark.py

@@ -1,6 +1,8 @@
 """
 Make a plot of CP2K benchmark data.
 """
+from __future__ import absolute_import
+from __future__ import print_function
 import numpy as np
 import matplotlib.pyplot as plt
 import matplotlib.ticker
@@ -33,8 +35,8 @@ def makePlot(benchmarkName, machineName, shift, showPlot):
                + benchmarkName \
                + '_besttimes.txt'
 
-    print 'Processing benchmark results for %s from file:' %  machineName
-    print fileName
+    print('Processing benchmark results for %s from file:' %  machineName)
+    print(fileName)
 
     # Load data from file
     data = np.loadtxt(fileName, dtype={'names': ('nodes', 'time', 'label'), \

tools/benchmark_plots/plot_comparison.py

@@ -1,6 +1,8 @@
 """
 Make a plot of CP2K benchmark data.
 """
+from __future__ import absolute_import
+from __future__ import print_function
 import numpy as np
 import matplotlib.pyplot as plt
 import matplotlib.ticker
@@ -43,8 +45,8 @@ def makePlot(benchmarkName, machineNames, shifts, showPlot):
                    + '/' \
                    + benchmarkName \
                    + '_besttimes.txt'
-        print 'Processing benchmark results from file:'
-        print fileName
+        print('Processing benchmark results from file:')
+        print(fileName)
         data = np.loadtxt(fileName,
                           dtype={'names': ('nodes', 'time', 'label'), \
                                  'formats': ('i4', 'f4', 'a5')})