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Checklist to release a new version
José Emilio Sánchez Aparicio edited this page Nov 10, 2020
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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:
- Tutorials and associated files work with the new version
- Default parameters page
- Introduce new version data in home page
- Mark with "NEW" the relevant changes .. image:: data/new.jpeg :align: left :height: 30px :alt: NEW!
- Generate the new conda packages with:
- conda build --python=2.7 -c omnia -c conda-forge -c bioconda -c josan_bcn "./conda-bld/" .
- conda convert --platform all /path/to/tar.bz2 -o /path/to/output_folder
- anaconda login (with user josan_bcn)
- anaconda upload /path/to/tar.bz2 (both for linux and osx)