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Merge cb96d8a into d5aa508
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kirstenwinther committed Nov 15, 2019
2 parents d5aa508 + cb96d8a commit 424f1ce
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3 changes: 1 addition & 2 deletions .travis.yml
@@ -1,9 +1,8 @@
language: python
python:
- "2.7"
- "3.5"
- "3.6"
- "3.7-dev"
- "3.7"

notifications:
email: false
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13 changes: 0 additions & 13 deletions readme.org
Expand Up @@ -61,8 +61,6 @@ Or, one can use pip to install from the master branch directly:
pip install --upgrade git+https://github.com/SUNCAT-Center/CatKit.git catkit
#+END_SRC

To properly install the =cathub= command line interface, you will also need to run the =setup.py=. This can be done by performing a pip installation as developer in the catkit directory.

#+BEGIN_SRC sh
cd ~/cakit
pip install -e .
Expand All @@ -84,17 +82,6 @@ It also has functionality for enumeration of other systems relevant to the field

For additional details regarding how the generator operates, including example usage, see the [[https://catkit-jboes.readthedocs.io/en/latest/_static/frontmatter/catgen.html][CatGen documentation]].

* CatHub: Catalysis-Hub.org
CatHub provides an interface to the reaction energy database on [[http://www.catalysis-hub.org][Catalysis-Hub.org]].

The module includes a command line interface that can be used to access and upload to the database:

Run `cathub`:

- cathub --help

See the [[https://catkit-jboes.readthedocs.io/en/latest/_static/frontmatter/cathub.html][CatHub documentation]] for details on how to use the cli.

* CatFlow: Catalysis Workflow
CatFlow is currently a staging ground for Workflow code and techniques. These functions are meant to be used in conjunction with the other modules inside CatKit to help automate these tasks.

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5 changes: 1 addition & 4 deletions setup.py
Expand Up @@ -28,17 +28,14 @@
],
package_dir={'catkit': 'catkit'},
install_requires=requirements,
python_requires='>=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, <4',
python_requires='>=3.5, <4',

classifiers=[
'Development Status :: 4 - Beta',
'Intended Audience :: Developers',
'Topic :: Scientific/Engineering :: Chemistry',
'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
'Programming Language :: Python',
'Programming Language :: Python :: 2',
'Programming Language :: Python :: 2.7',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.5',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.7',
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