Atomtomate / PyTorchLightningTemplate

PyTorchLightningTemplate

Environment

There is a requirements.txt file in the root directory. I recommend creating a virtual environment and installing the packages from the requirements file.

Conda:

• conda create --name myenv python=3.10
• conda activate myenv
• pip install -r requirements.txt

Tests

Run the tests using pytest from the root directory. I have had some issues sometimes, so I use python -m pytest instead. You can add the following options:

• python -m pytest tests/data to run only the tests in the tests/data directory (or any other directory)
• -s to print the output (print statements) of the tests to the console
• -v to see the name of the tests that are run
• -k "test_name" to run only the tests that contain the string "test_name" (k stands for keyword)