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A unified platform for theoretical and computational chemists.

Project description

exatomic logo A unified platform for computational chemists

Installation

conda Badge pypi badge Exa is available through anaconda

$ conda install -c exaanalytics exatomic

or pypi.

$ pip install exatomic
$ jupyter nbextension enable --py --sys-prefix exatomic

Getting Started

docs
Building the docs requires sphinx. On Linux or Mac OS:
$ cd docs
$ make html

On Windows:

$ cd docs
$ ./make.bat html

Contributing

travis
Coverage
Codacy

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.

Reference

DOI

Project details


Release history Release notifications

This version
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0.3.9

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0.3.8

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0.3.7

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0.3.6

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0.3.2

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0.3.1

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0.2.14

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0.2.12

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0.2.11

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0.2.10

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0.2.9

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0.2.7

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0.2.6

Download files

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Filename, size & hash SHA256 hash help File type Python version Upload date
exatomic-0.3.9.tar.gz (33.9 MB) Copy SHA256 hash SHA256 Source None Jan 12, 2018

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