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* Redo folder structure and start amending references * Update setup.py using dephell to be able to install summit * Set up tests for domains The variables don't have __eq__ methods * Update random strategy doctests * Update lhs doc test code... might need to take this out if it is too brittle * Bump version and output setup.py * Make updates to tsemo
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Summit | ||
====== | ||
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Summit is a set of tools for optimizing chemical reactions. | ||
Summit is a set of tools for optimizing chemical processes. | ||
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Case Studies | ||
Installation | ||
------------ | ||
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If you want to use summit immediately without installing python on your computer, go to our `Jupyterhub <hub.rxns.io>`_\ , which already has it installed. You can find a description of it `here <https://github.com/sustainable-processes/server/blob/master/notes/session_1.md>`_. | ||
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* `Photo Amination <case_studies/photoamination/>`_ | ||
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_ | ||
To install locally: | ||
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Building Containers | ||
------------------- | ||
``pip install git+https://github.com/sustainable-processes/[email protected]#egg=summit`` | ||
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You might need to enter your username and password for Github. | ||
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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. | ||
Documentation | ||
------------- | ||
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#. | ||
If you are on mac, you need to install gnu-tar: | ||
The documentation for summit can be found on the `wiki <https://github.com/sustainable-processes/summit/wiki>`_. | ||
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.. code-block:: | ||
Case Studies | ||
------------ | ||
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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 | ||
In addition to the documentation, we are prepareing several case studies. These contain jupyter notebooks with practical examples to follow. | ||
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* `Formulation <case_studies/formulation>`_ | ||
* `Nanosilica <case_studies/nanosilica>`_ | ||
* `Photo Amination <case_studies/photoamination/>`_ | ||
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_ | ||
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#. | ||
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>`_ | ||
Develpment | ||
---------- | ||
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#. | ||
Inside the main folder for summit (i.e., the same folder as this README), build the container: | ||
Build a release | ||
^^^^^^^^^^^^^^^ | ||
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.. code-block:: | ||
Below is the old process. | ||
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#On Mac | ||
sudo habitus --build host=docker.for.mac.localhost --binding=127.0.0.1 --secrets=true | ||
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#This is what I think it will be on linux | ||
sudo habitus --build host=gateway.docker.local --binding=127.0.0.1 --secrets=true | ||
#. Install `s3pypi <https://github.com/novemberfiveco/s3pypi>`_ and `dephell <https://dephell.org/docs/installation.html>`_ | ||
#. Install AWS credentials to upload pypi.rxns.io (Kobi is the one who controls this). | ||
#. Bump the version in pyproject.toml and then run: | ||
``dephell deps convert --from=pyproject.toml --to=setup.py`` | ||
#. Go into setup.py and delete the lines for extras_install_requires | ||
#. Upload the package to the private pypi repository: | ||
``s3pypi --bucket pypi.rxns.io`` |
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