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nomad-lab
parser-molcas
Commits
fe782c9a
Commit
fe782c9a
authored
Oct 10, 2016
by
Ask Hjorth Larsen
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shortcut script to run tests
parent
b63f2e94
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parser/parser-molcas/runtests.py
parser/parser-molcas/runtests.py
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parser/parser-molcas/runtests.py
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fe782c9a
#!/usr/bin/env python
# xXXXXxx This file copied from GULP XXXxxXxxXXXX
from
__future__
import
print_function
from
glob
import
glob
import
re
from
optparse
import
OptionParser
from
subprocess
import
Popen
,
PIPE
import
os
from
ase.parallel
import
world
import
platform
p
=
OptionParser
()
opts
,
args
=
p
.
parse_args
()
if
len
(
args
)
==
0
:
testfiles
=
glob
(
'test/test???.input.out'
)
testfiles
.
sort
()
#tests = {}
#testfiles.sort()
#print(testfiles)
#pat = re.compile('test/outputs/example(\d+)[ab]?.got')
#for fname in testfiles:
# print(fname, pat.match(fname))
#testfiles.sort(key=lambda fname:
# int(pat.match(fname).group(1)))
#for f in testfiles:
# print(f)
else
:
testfiles
=
argv
for
i
,
testfile
in
enumerate
(
testfiles
):
if
i
%
world
.
size
!=
world
.
rank
:
continue
dirname
,
basename
=
os
.
path
.
split
(
testfile
)
print
(
basename
)
py
=
'python'
if
platform
.
node
()
==
'labdev-nomad'
:
py
=
'/labEnv3/bin/python'
args
=
[
py
,
'main.py'
,
'--annotate'
]
args
.
append
(
testfile
)
proc
=
Popen
(
args
,
stdout
=
PIPE
)
txt
=
proc
.
stdout
.
read
()
with
open
(
'%s.json'
%
testfile
,
'w'
)
as
fd
:
fd
.
write
(
txt
.
decode
(
'ascii'
))
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