snitch aims to be a simple, cheap, non-invasive, and user-friendly testing framework. The design philosophy is to keep the testing API lean, including only what is strictly necessary to present clear messages when a test fails.

This package provides a Pytest plugin which enables running each test in a subprocess and will report if a test crashed the process. It can be useful to isolate tests against undesirable global environment side-effects (such as setting environment variables).

Testscenarios provides clean dependency injection for Python unittest style tests.

Nose2 is the next generation of nicer testing for Python, based on the plugins branch of unittest2. Nose2 aims to improve on nose by providing a better plugin api, being easier for users to configure, and simplifying internal interfaces and processes.

The googlebenchmark C++ library support the benchmarking of functions, similar to unit tests.

Subunit is a streaming protocol for test results. Subunit comes with command line filters to process a subunit stream and language bindings for Python, C, C++ and shell. Bindings are easy to write for other languages.

Pytest-examples provides functionality for testing Python code examples in docstrings and markdown files, with its main features being:

• lint code examples using ruff and black

• run code examples

• run code examples and check print statements are inlined correctly in the code

• It can also update code examples in place to format them and insert or update print statements

ATF, is a collection of libraries to write test programs in C, C++ and POSIX shell.

The ATF libraries offer a simple API orthogonal through the various bindings, allowing developers to quickly learn how to write test programs in different languages.

ATF-based test programs offer a consistent end-user command-line interface, allowing execution to both humans and automation.

ATF-based test programs rely on a third-party execution engine to be run, shipped separatedly. Kyua is the engine of choice.

Pytest is a testing tool that provides auto-discovery of test modules and functions, detailed info on failing assert statements, modular fixtures, and many external plugins.

Greatest is a single-header test system for C, including macros for defining tests, grouping them into suites, and providing a test runner. It is quite unopinionated with most of its features being optional.

Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so Check can catch both assertion failures and code errors that cause segmentation faults or other signals. The output from unit tests can be used within source code editors and IDEs.

Coverage measures code coverage, typically during test execution. It uses the code analysis tools and tracing hooks provided in the Python standard library to determine which lines are executable, and which have been executed.

pytest-perf makes it easy to compare works by creating two installs, the control and the experiment, and measuring the performance of some Python code against each. Under the hood, it uses the pip-run command to install from the upstream main branch (e.g. https://github.com/jaraco/pytest-perf) for the control and from . for the experiment. It then runs each of the experiments against each of the environments.

Rapidcheck is a property based testing framework for C++. It works by generating random data to try and find a case breaks your given pre-condition.

The pytest-xdist plugin extends pytest with some unique test execution modes: parallelization, running tests in boxed subprocesses, the ability to run tests repeatedly when failed, and the ability to run tests on multiple Python interpreters or platforms. It uses rsync to copy the existing program code to a remote location, executes there, and then syncs the result back.

Trompeloeil is a thread-safe header-only mocking framework for C++11/14.

CUnit is a lightweight system for writing, administering, and running unit tests in C. It provides C programmers with basic testing functionality with a flexible variety of user interfaces.

PICT is a pairwise testing tool that generates test cases and test configurations. With PICT, you can generate tests that are more effective than manually generated tests and in a fraction of the time required by hands-on test case design. PICT runs as a command line tool. It takes a model file detailing the parameters of the interface as an input and generates a compact set of parameter value choices that represent the test cases you should use to get comprehensive combinatorial coverage of your parameters.

pytest-sugar is a plugin for py.test that changes the default look and feel of python-pytest, using a progress bar and showing failures and errors instantly.

libcint is a C library (also with a Fortran API) to evaluate one- and two-electron integrals for GTOs.

libmsym is a C library dealing with point group symmetry in molecules.

RDKit is a C++ and Python library for cheminformatics, which includes (among other things) the analysis and modification of molecules in 2D and 3D and descriptor generation for machine learning.

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. GROMACS supports all the usual algorithms you expect from a modern molecular dynamics implementation.

This is a generic C++ library that can be used to rapidly align two small molecules in 3D space, with shape - and optionally color - Tanimoto scoring.