From 4cfdba76911ad0c438a4137626b8e42f0a2368bc Mon Sep 17 00:00:00 2001
From: Ask Hjorth Larsen <asklarsen@gmail.com>
Date: Wed, 6 Jul 2016 19:30:06 +0200
Subject: [PATCH] probably fix errors
---
.../parser-octopus/octopus_logfile_parser.py | 5 ++--
parser/parser-octopus/parser_octopus.py | 26 ++++++++++---------
2 files changed, 17 insertions(+), 14 deletions(-)
diff --git a/parser/parser-octopus/octopus_logfile_parser.py b/parser/parser-octopus/octopus_logfile_parser.py
index 72569b0..46c0496 100644
--- a/parser/parser-octopus/octopus_logfile_parser.py
+++ b/parser/parser-octopus/octopus_logfile_parser.py
@@ -32,8 +32,9 @@ def parse_logfile(meta_info_env, pew, fname):
# XXX this is just a hack until we decide to do more
maxlines = 100
with open(fname) as fd:
- for i in range(maxlines):
- line = next(fd)
+ for i, line in enumerate(fd):
+ if i > maxlines:
+ break
if line.startswith('Version'):
version = line.split()[-1]
pew.addValue('program_version', version)
diff --git a/parser/parser-octopus/parser_octopus.py b/parser/parser-octopus/parser_octopus.py
index 53eb043..e1a084a 100644
--- a/parser/parser-octopus/parser_octopus.py
+++ b/parser/parser-octopus/parser_octopus.py
@@ -106,8 +106,9 @@ def read_input_file(path):
def is_octopus_logfile(fname):
fd = open(fname)
- for lineno in range(20):
- line = next(fd)
+ for n, line in enumerate(fd):
+ if n > 20:
+ break
if '|0) ~ (0) |' in line: # Eyes from Octopus logo
return True
return False
@@ -210,6 +211,13 @@ def register_octopus_keywords(pew, category, kwargs):
def parse(fname, fd):
+ # Look for files before we create some of our own files for logging etc.:
+ staticdirname, _basefname = os.path.split(fname)
+ dirname, _static = os.path.split(staticdirname)
+ inp_path = os.path.join(dirname, 'inp')
+ parser_log_path = os.path.join(dirname, 'exec', 'parser.log')
+ logfile = find_octopus_logfile(dirname)
+
# fname refers to the static/info file.
pew = JsonParseEventsWriterBackend(metaInfoEnv)
pew.startedParsingSession(fname, parser_info)
@@ -227,11 +235,6 @@ def parse(fname, fd):
pew.addValue('program_name', 'Octopus')
print(file=fd)
- staticdirname, _basefname = os.path.split(fname)
- dirname, _static = os.path.split(staticdirname)
- inp_path = os.path.join(dirname, 'inp')
- parser_log_path = os.path.join(dirname, 'exec', 'parser.log')
-
print('Read Octopus keywords from input file %s' % inp_path,
file=fd)
kwargs = read_input_file(inp_path)
@@ -263,13 +266,12 @@ def parse(fname, fd):
nspins = calc.get_number_of_spins()
nkpts = len(calc.get_k_point_weights())
- logfile = find_octopus_logfile(dirname)
if logfile is None:
print('No stdout logfile found', file=fd)
else:
print('Found stdout logfile %s' % logfile, file=fd)
- #print('Parse logfile using SimpleMatcher', file=fd)
- #parse_logfile(metaInfoEnv, pew, logfile)
+ print('Parse logfile %s' % logfile, file=fd)
+ parse_logfile(metaInfoEnv, pew, logfile)
print('Add parsed values', file=fd)
with open_section('section_system'):
@@ -289,8 +291,8 @@ def parse(fname, fd):
np.array(atoms.pbc))
with open_section('section_single_configuration_calculation'):
- #print('Parse info file using SimpleMatcher', file=fd)
- #parse_infofile(metaInfoEnv, pew, fname)
+ print('Parse info file %s' % fname, file=fd)
+ parse_infofile(metaInfoEnv, pew, fname)
with open_section('section_method'):
pew.addValue('number_of_spin_channels', nspins)
--
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