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nomad-lab
parser-cp2k
Commits
67f0b3ce
Commit
67f0b3ce
authored
Oct 19, 2017
by
Lauri Himanen
Browse files
Simplified setup.py.
parent
35a90bed
Changes
2
Hide whitespace changes
Inline
Side-by-side
parser/parser-cp2k/cp2kparser/scalainterface.py
deleted
100644 → 0
View file @
35a90bed
"""
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
nomadcore.parser_backend
import
JsonParseEventsWriterBackend
from
cp2kparser
import
CP2KParser
if
__name__
==
"__main__"
:
# Initialise the parser with the main filename and a JSON backend
main_file
=
sys
.
argv
[
1
]
parser
=
CP2KParser
(
backend
=
JsonParseEventsWriterBackend
)
parser
.
parse
(
main_file
)
setup.py
View file @
67f0b3ce
"""
This is a setup script for installing the parser locally on python path with
all the required dependencies. Used mainly for local testing.
"""
from
setuptools
import
setup
,
find_packages
#===============================================================================
def
main
():
# Start package setup
setup
(
name
=
"cp2kparser"
,
version
=
"0.1"
,
...
...
@@ -21,14 +15,9 @@ def main():
package_dir
=
{
''
:
'parser/parser-cp2k'
},
packages
=
find_packages
(),
install_requires
=
[
'future'
,
'pint'
,
'numpy'
,
'mdtraj'
,
'ase'
'nomadcore'
,
],
)
# Run main function by default
if
__name__
==
"__main__"
:
main
()
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