Devlog
Alchemiscale task restart policy proposal
A proposal for bringing automatic Task restarts to Alchemiscale, decreasing the need for users to manually intervene when resubmitting Tasks.
June 20, 2024
Building documentation on Read the Docs for GitHub pull requests
Even though you may deploy your documentation on services other than Read the Docs (RTD), such as GitHub pages, those services may not offer a convenient way to build documentation for pull requests (PR). Building Sphinx documentation on RTD only requires a minimal configuration file as well as an environment file. In this case, our RTD configuration file will match the one found in the MDAnalysis MDAKit cookiecutter, which also references the mentioned environment file used with conda.
October 5, 2023
Extracting authorship from a git repository
When moving code from one project to another, original authorship and attribution is easily lost in the process. Fortunately, if you’re using git, this information travels with the repository and anyone who had a part in publishing code is identifiable. In this post, we are concerned with identifying the authors who were involved with the ENCORE analysis module in MDAnalysis and giving proper attribution in the new mdaencore MDAKit AUTHOR.md.
August 3, 2023
MDAnalysis Sphinx documentation style for MDAKits
Sphinx documentation style instructions for MDAnalysis projects
July 28, 2023