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Bump to version 0.2.0
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marcosfelt committed Oct 22, 2019
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2 changes: 2 additions & 0 deletions .gitignore
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#pickle files
.pickle
~*.xlsx
*.DS_STORE
.vscode/
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43 changes: 43 additions & 0 deletions README.rst
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Summit
======

Summit is a set of tools for optimizing chemical reactions.

Case Studies
------------


* `Photo Amination <case_studies/photoamination/>`_
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_

Building Containers
-------------------


#.
Download `habitus <https://www.habitus.io/>`_. Habitus is used to insert ssh keys into containers safely, so you can pull from for private Github repositories.

#.
If you are on mac, you need to install gnu-tar:

.. code-block::
brew install gnu-tar
echo "export PATH=/usr/local/opt/gnu-tar/libexec/gnubin:$PATH" >> ~./bash_profile
echo "aliast tar='gtar'" >> ~/.bash_profile
source ~/.bash_profile
#.
Change line 10 of the build.yml to be the name of your `ssh key for github <https://help.github.com/en/articles/connecting-to-github-with-ssh>`_

#.
Inside the main folder for summit (i.e., the same folder as this README), build the container:

.. code-block::
#On Mac
sudo habitus --build host=docker.for.mac.localhost --binding=127.0.0.1 --secrets=true
#This is what I think it will be on linux
sudo habitus --build host=gateway.docker.local --binding=127.0.0.1 --secrets=true
1,499 changes: 1 addition & 1,498 deletions case_studies/web/test_optimization.ipynb

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