python-package-best-practices - December 2023 - 2023 Review

This release contains changes from the 2023 Best Practices Workshop Review. Contributors to this release include Jessica Nash, Sam Ellis, Steven Ayoub, Pratiksha Gaikwad, and Fangwang Meng.

Changes:

• Episodes edited for clarity and grammatical correctness.
• Theme updated
• Starting code updated for newer versions of Python and NumPy
• Recommended Python version changed to 3.11
• GitHub Actions, CookieCutter information updated
• Starting/stopping repos added for each lesson.
• Docker container with molssi_best_practices environment added.

- Python
Published by janash about 2 years ago

python-package-best-practices - September 2022

This release contains the result of the yearly workshop review for 2022. Jessica A. Nash, Eric Irrgang, Muhammad Radifar, Sam Ellis and Kofi Nketia Ackaah-Gyasi.

The following changes were made to the content of the workshop:

• The set up instructions were changed to recommend windows users install the Windows Subsystem for Linux.
• The materials on version control and code sharing were updated and rearranged.
• The MolSSI materials were updated to be consistent with recent changes to the MolSSI CookieCutter regarding the use of pyproject.toml
• A module on type hinting was added.
• The module on software deployment was changed to 'distribution' and an initial draft about distribution Python packages was added to the workshop.

- Python
Published by janash over 3 years ago

python-package-best-practices - August 2021

This work for this release was completed June - August 2021 by Jessica A. Nash, Eric Irrgang, Muhammad Radifar, and Sam Ellis.

The following changes were made to the content of the workshop: - Changes in set-up authentication for GitHub. Username + password authentication was deprecated by GitHub in August 2020. The set-up instructions have been updated to advise students to set up an ssh key. - Set-up was changed to make default branch for git be main, rather than master. - Master renamed to main throughout. New figures made for git lesson.

All lessons were proofread and edited for clarity and consistency.

Branding of the site/repo was updated to reflect MolSSI branding.

- Python
Published by janash over 4 years ago

python-package-best-practices - December 2020

This release represents the last major update to the workshop. We are implementing a calendar versioning system where the version is tagged according to YYYY.0M.MICRO.

This release made major changes from the previous version of the workshop:

• black replaced yapf as recommended python formatter
• flake8 python linter added
• continuous integration lesson switched from travis-CI to GitHub Actions
• list of legacy lessons created (travis-ci added to legacy lessons)

- Python
Published by janash almost 5 years ago