Commit 62c3d6ad authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Updated the setuptools settings and README.

parent baef37b7
......@@ -63,6 +63,15 @@ folder *cp2k/test/unittests*. Here is an example of the call syntax:
mpl.show()
```
To install this standalone version, you need to clone the repositories
"python-common", "nomad-meta-info", and "parser-cp2k" into the same folder.
Then install the python-common according to the instructions found in the
README. After that, you can install this package by running:
```sh
python setup.py develop --user
```
# Tools and Methods
This section describes some of the guidelines that are used in the development
of this parser.
......
......@@ -15,8 +15,8 @@ class CP2KParser(ParserInterface):
After the implementation has been setup, you can parse the files with
parse().
"""
def __init__(self, main_file, metainfo_to_keep=None, backend=None, default_units=None, metainfo_units=None):
super(CP2KParser, self).__init__(main_file, metainfo_to_keep, backend, default_units, metainfo_units)
def __init__(self, main_file, metainfo_to_keep=None, backend=None, default_units=None, metainfo_units=None, debug=True, store=True):
super(CP2KParser, self).__init__(main_file, metainfo_to_keep, backend, default_units, metainfo_units, debug, store)
def setup_version(self):
"""Setups the version by looking at the output file and the version
......
......@@ -11,7 +11,6 @@ def main():
setup(
name="cp2kparser",
version="0.1",
include_package_data=True,
package_data={
'cp2kparser.versions.cp2k262': ['input_data/cp2k_input_tree.pickle'],
},
......@@ -19,6 +18,7 @@ def main():
author="Lauri Himanen",
author_email="lauri.himanen@aalto.fi",
license="GPL3",
package_dir={'': 'parser/parser-cp2k'},
packages=find_packages(),
install_requires=[
'pint',
......@@ -26,7 +26,6 @@ def main():
'mdtraj',
'ase'
],
zip_safe=False
)
# Run main function by default
......
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