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#pickle files | ||
.pickle | ||
~*.xlsx | ||
*.DS_STORE | ||
.vscode/ |
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Summit | ||
====== | ||
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Summit is a set of tools for optimizing chemical reactions. | ||
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Case Studies | ||
------------ | ||
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* `Photo Amination <case_studies/photoamination/>`_ | ||
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_ | ||
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Building Containers | ||
------------------- | ||
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#. | ||
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. | ||
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#. | ||
If you are on mac, you need to install gnu-tar: | ||
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.. 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>`_ | ||
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#. | ||
Inside the main folder for summit (i.e., the same folder as this README), build the container: | ||
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.. 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 |
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