Skip to content

Checklist to release a new version

José Emilio Sánchez Aparicio edited this page Nov 10, 2020 · 5 revisions

Before releasing a new version of GPathFinder, the following checklist has to be filled:

  • Change version number on gpath/init.py and /conda-recipe/ meta.yaml files
  • Benchmark of 40 systems with clashes and compare with previous version
  • Benchamrk of 20 systems with clashes + vina and compare with previous version
  • Test case 6mq6 and compare results
  • Test at least one example of the three previous sections in every OS
  • Test that refinement script is working (1ldi case test)
  • Check examples/input_files are working
  • Check documentation:
  1. Tutorials and associated files work with the new version
  2. Default parameters page
  3. Introduce new version data in home page
  4. Mark with "NEW" the relevant changes .. image:: data/new.jpeg :align: left :height: 30px :alt: NEW!
  • Generate the new conda packages with:
  1. conda build --python=2.7 -c omnia -c conda-forge -c bioconda -c josan_bcn "./conda-bld/" .
  2. conda convert --platform all /path/to/tar.bz2 -o /path/to/output_folder
  3. anaconda login (with user josan_bcn)
  4. anaconda upload /path/to/tar.bz2 (both for linux and osx)
Clone this wiki locally