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Restructure repository (#13)
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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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marcosfelt authored Apr 17, 2020
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29 changes: 2 additions & 27 deletions README.md
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Expand Up @@ -29,6 +29,8 @@ In addition to the documentation, we are prepareing several case studies. These

### Build a release

Below is the old process.

1. Install [s3pypi](https://github.com/novemberfiveco/s3pypi) and [dephell](https://dephell.org/docs/installation.html)
2. Install AWS credentials to upload pypi.rxns.io (Kobi is the one who controls this).
3. Bump the version in pyproject.toml and then run:
Expand All @@ -38,30 +40,3 @@ In addition to the documentation, we are prepareing several case studies. These
```s3pypi --bucket pypi.rxns.io```


### Building Containers

This is useful when you want to run summit on a remote server.

1. 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.

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

```
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
```
3. 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)
4. Inside the main folder for summit (i.e., the same folder as this README), build the container:
```
#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
```
54 changes: 30 additions & 24 deletions README.rst
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Expand Up @@ -2,42 +2,48 @@
Summit
======

Summit is a set of tools for optimizing chemical reactions.
Summit is a set of tools for optimizing chemical processes.

Case Studies
Installation
------------

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>`_.

* `Photo Amination <case_studies/photoamination/>`_
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_
To install locally:

Building Containers
-------------------
``pip install git+https://github.com/sustainable-processes/[email protected]#egg=summit``

You might need to enter your username and password for Github.

#.
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
-------------

#.
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>`_.

.. code-block::
Case Studies
------------

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.


* `Formulation <case_studies/formulation>`_
* `Nanosilica <case_studies/nanosilica>`_
* `Photo Amination <case_studies/photoamination/>`_
* `Borrowing Hydrogen <case_studies/borrowing_hydrogen>`_

#.
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
----------

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

.. code-block::
Below is the old process.

#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
#. 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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