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README.md

Testing QSPRpred

This is the directory to run various tests on QSPRpred. You can run all tests with the ./run.sh script. There are a couple environment variables that you can set to control which tests are run and how:

  • QSPPRED_TEST_TUTORIAL: Whether to run all tutorial code. Default: true.
  • QSPPRED_TEST_SPLIT_UNITS: Whether to run all unit tests at once or split them to smaller chunks. Default: false. This is mainly to prevent memory hogging on GitLab runners.
  • QSPPRED_TEST_EXTRAS: Whether to run unit tests for the qsprpred.extra module as well. Default: true.

All tests should be located in a folder with the test_ prefix and have their own run.sh script that can be used to run them individually or modify behavior.

A Docker-based test runner is also provided in ./runner. This can be used to run the whole test pipeline locally for given git tags or commits. It is a replacement for when CI runners are not available. See the README for more information.
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