A unified platform for theoretical and computational chemists.
Project description
A unified platform for computational chemists
Installation
Exa is available through anaconda
$ conda install -c exaanalytics exatomic
or pypi.
$ pip install exatomic $ jupyter nbextension enable --py --sys-prefix exatomic
Getting Started
See docs for usage.
Building the docs requires sphinx. On Linux or Mac:
$ cd docs $ make html
On Windows:
$ cd docs $ ./make.bat html
Contributing
For a development ready installation:
$ git clone https://github.com/exa-analytics/exatomic.git $ cd exatomic $ pip install -e . $ jupyter nbextension install --py --symlink --sys-prefix exatomic $ jupyter nbextension enable --py --sys-prefix exatomic
Note that this requires npm. On Windows, symlinks will not work but as a work- around, extensions can be recompiled and reinstalled upon edits without the need to reinstall the package.
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exatomic-0.5.5.tar.gz
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