Code cleaning

Funding: SCM ReaxPro EU203

Author: nfaguirrec

.editorconfig

@@ -0,0 +1,39 @@
+Thank you for your interest in contributing to the pyZacros project!
+
+# How to contribute
+
+We want to keep it as easy as possible to contribute changes that
+get things working in your environment. There are a few guidelines that we
+need contributors to follow so that we can have a chance of keeping on
+top of things.
+
+## Getting Started
+
+* Make sure you have a [GitHub account](https://github.com/signup/free)
+* Fork the repository on GitHub
+
+## Making Changes
+
+* Create a topic branch from where you want to base your work.
+  * This is usually the master branch.
+  * Only target release branches if you are certain your fix must be on that
+    branch.
+  * To quickly create a topic branch based on master; `git checkout -b
+    fix/master/my_contribution master`. Please avoid working directly on the
+    `master` branch.
+* Make commits of logical units.
+* Check for unnecessary whitespace with `git diff --check` before committing.
+* Make sure your commit messages are informative.
+* Make sure you have added the necessary tests for your changes.
+* Run _all_ the tests to assure nothing else was accidentally broken.
+
+## Submitting Changes
+
+* Push your changes to a topic branch in your fork of the repository.
+* Submit a pull request to the repository in the SCM-NV organization.
+* The core team looks at Pull Requests on a regular basis.
+
+# Additional Resources
+
+* [General GitHub documentation](https://help.github.com/)
+* [GitHub pull request documentation](https://help.github.com/send-pull-requests/)

CONTRIBUTING.md

@@ -1 +1 @@
-__version__ = '0.0.1'
+__version__ = '1.0.0'

CONTRIBUTING.rst

@@ -18,33 +18,33 @@
 setup(
     name='pyzacros',
     version=version['__version__'],
-    description="A Python library to handle KMC codes.",
+    description="Python Library for Automating Zacros Simulations",
     long_description=readme + '\n\n',
     author="Pablo Lopez-Tarifa",
     author_email='[email protected]',
-    url='https://github.com/NLeSC/pyZacros',
+    url='https://github.com/SCM-NV/pyZacros',
     packages=packages,
     package_dir = {'pyzacros': '.'},
-    package_data={'pyzacros' : ['lattice_db/*', 'examples/*']},
+    package_data={'pyzacros' : ['examples/*']},
     include_package_data=True,
     license="LGPLv3",
     zip_safe=False,
     keywords='pyZacros',
     classifiers=[
-        'Development Status :: 2 - Pre-Alpha',
+        'Development Status :: Alpha',
         'Intended Audience :: Developers',
         'License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)',
         'Natural Language :: English',
         'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.6',        
+        'Programming Language :: Python :: 3.6',
     ],
 
     install_requires=[
         'pyaml', 'chemparse',
         'plams@git+https://github.com/SCM-NV/PLAMS@master'],
 
     extras_require={
-        'test': ['coverage', 'pycodestyle', 'pytest>=3.9', 'pytest-cov'],
+        'test': ['coverage', 'pytest>=3.9', 'pytest-cov'],
         'doc': ['sphinx', 'sphinx_rtd_theme', 'nbsphinx']
     }
 )