Commit acc8eead authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

python3: futurize step1

parent e00bb0ce
......@@ -2,8 +2,9 @@
This is the access point to the parser for the scala layer in the
nomad project.
"""
from __future__ import absolute_import
import sys
import setup_paths
from . import setup_paths
from nomadcore.parser_backend import JsonParseEventsWriterBackend
from cp2kparser import CP2KParser
......
......@@ -12,6 +12,7 @@ The actual calculation input contents can later be added to this object. Then
the object can be queried for the results, or the default values defined by the
cp2k_input.xml.
"""
from __future__ import print_function
import xml.etree.cElementTree as ET
import logging
......@@ -68,7 +69,7 @@ def recursive_tree_generation(xml_element, for_metainfo=False, name_stack=[], ig
]
name = "/".join(name_stack)
if "/".join(name_stack) in kept_print_settings:
print "KEPT {}".format(name)
print("KEPT {}".format(name))
ignore = False
else:
return
......
from __future__ import absolute_import
import re
import numpy as np
import logging
......@@ -5,7 +6,7 @@ from nomadcore.simple_parser import SimpleMatcher as SM
from nomadcore.simple_parser import extractOnCloseTriggers
from nomadcore.caching_backend import CachingLevel
from nomadcore.unit_conversion.unit_conversion import convert_unit
from inputparser import CP2KInputParser
from .inputparser import CP2KInputParser
logger = logging.getLogger("nomad")
......
from __future__ import print_function
from __future__ import absolute_import
from nomadcore.simple_parser import SimpleMatcher as SM
from nomadcore.baseclasses import MainHierarchicalParser
from commonmatcher import CommonMatcher
from .commonmatcher import CommonMatcher
import cp2kparser.generic.configurationreading
import cp2kparser.generic.csvparsing
from nomadcore.caching_backend import CachingLevel
......@@ -303,5 +305,5 @@ class CP2KGeoOptParser(MainHierarchicalParser):
def debug(self):
def wrapper(parser):
print "DEBUG"
print("DEBUG")
return wrapper
from __future__ import absolute_import
import numpy as np
from nomadcore.simple_parser import SimpleMatcher as SM
from nomadcore.baseclasses import MainHierarchicalParser
from commonmatcher import CommonMatcher
from .commonmatcher import CommonMatcher
import cp2kparser.generic.configurationreading
import cp2kparser.generic.csvparsing
from nomadcore.caching_backend import CachingLevel
......@@ -296,7 +297,7 @@ class CP2KMDParser(MainHierarchicalParser):
# Energy file
if self.energy_iterator is not None:
if (i_step + 1) % freqs["energies"][0] == 0:
line = self.energy_iterator.next()
line = next(self.energy_iterator)
time = line[1]
kinetic_energy = line[2]
......@@ -317,7 +318,7 @@ class CP2KMDParser(MainHierarchicalParser):
# Cell file
if self.cell_iterator is not None:
if (i_step + 1) % freqs["cell"][0] == 0:
line = self.cell_iterator.next()
line = next(self.cell_iterator)
cell = np.reshape(line, (3, 3))
self.cache_service["simulation_cell"] = cell
......
from __future__ import absolute_import
from nomadcore.simple_parser import SimpleMatcher as SM
from nomadcore.baseclasses import MainHierarchicalParser
from singlepointforceparser import CP2KSinglePointForceParser
from .singlepointforceparser import CP2KSinglePointForceParser
from nomadcore.caching_backend import CachingLevel
from commonmatcher import CommonMatcher
from .commonmatcher import CommonMatcher
import logging
logger = logging.getLogger("nomad")
......
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