An updated tutorial on reproducible PyPI applications for advancing chemometrics and boosting learner motivation

Abstract

ContextProgramming, particularly with the widely-used scripting language Python, is a powerful tool for expressing ideas in science and technology. PyPI, or the Python Package Index, is a management tool for Python packages. Despite the availability of many tutorials on PyPI, including on its official website, many users have encountered difficulties due to outdated information and issues with the twine upload library. ObjectivesThis paper demonstrates the use of a gas chromatography program to prototype the PyPI application, with the goal of maximizing its dissemination and validating its reproducibility in science and engineering worldwide. MethodsThe peer-reviewed Python program on gas chromatography is converted to the PyPI application. Third-party evaluations motivate learners to boost programming skills. The more the downloads from third-party evaluations, the greater the incentive for learners. ResultsThe gas chromatography program is successfully converted to agci PyPI application. Learners can be excited to check their progress on external downloads to motivate them to learn and program. This tutorial shows how to verify software reproducibility of the PyPI application via Code Ocean. ConclusionThis paper demonstrated the real gas chromatography program to the PyPI application and showed how to verify software reproducibility for maximizing dissemination skills and boosting the motivation of learners for advancing chemometrics research.