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First-time setup


If you are a student or teacher, we recommend using your Github account with Github's free Student/Teacher packages. This includes Github Pro and many other softwares that you may find useful. This is optional.

  1. Fork the Simmate repo to your Github profile (e.g. yourname/simmate)

  2. Clone yourname/simmate to your local desktop. To do this, we recommend using GitKraken and cloning to a folder named ~/Documents/github/. Note, Gitkraken is free for public repos (which includes Simmate), but also available with Github's free Student/Teacher packages. Their 6 minute beginner video will get you started.

  3. Navigate to where you cloned the Simmate repo:

    cd ~/Documents/github/simmate

  4. Create your conda env using our conda file. Note, this will install Spyder for you and name your new environment simmate_dev. We highly recommend you use Spyder as your IDE so that you have the same overall setup as the rest of the team.

    conda env update -f envs/conda/dev.yaml
    conda install -n simmate_dev -c conda-forge spyder -y
    conda activate simmate_dev

  5. Install Simmate in developmental mode to your simmate_dev env.

    pip install -e .

  6. When resetting your database, make sure you do NOT use the prebuilt database. Pre-builts are only made for new releases and the dev database may differ from the most recent release.

    simmate database reset --confirm-delete --no-use-prebuilt

  7. Make sure everything works properly by running our tests

    # you can optionally run tests in parallel 
    # with a command such as "pytest -n 4"

  8. In GitKraken, make sure you have the main branch of your repo (yourname/simmate) checked out.

  9. In Spyder, go Projects > New Project.... Check existing directory, select your ~/Documents/github/simmate directory, and then create your Project!

  10. You can now explore the source code and add/edit files! Move to the next section on how to format, test, and submit these changes to our team.