From 62c3d6ad0de9de07f3cfc06abc19af061a843972 Mon Sep 17 00:00:00 2001
From: Lauri Himanen <lauri.himanen@aalto.fi>
Date: Mon, 20 Jun 2016 15:13:36 +0300
Subject: [PATCH] Updated the setuptools settings and README.
---
README.md | 9 +++++++++
parser/parser-cp2k/cp2kparser/parser.py | 4 ++--
parser/parser-cp2k/setup.py => setup.py | 3 +--
3 files changed, 12 insertions(+), 4 deletions(-)
rename parser/parser-cp2k/setup.py => setup.py (93%)
diff --git a/README.md b/README.md
index 49a2289..0d18cf9 100644
--- a/README.md
+++ b/README.md
@@ -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.
diff --git a/parser/parser-cp2k/cp2kparser/parser.py b/parser/parser-cp2k/cp2kparser/parser.py
index ba0c4d3..fc0f105 100644
--- a/parser/parser-cp2k/cp2kparser/parser.py
+++ b/parser/parser-cp2k/cp2kparser/parser.py
@@ -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
diff --git a/parser/parser-cp2k/setup.py b/setup.py
similarity index 93%
rename from parser/parser-cp2k/setup.py
rename to setup.py
index 66d74e7..6c2804b 100644
--- a/parser/parser-cp2k/setup.py
+++ b/setup.py
@@ -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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