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After PR #549, DSSP installation is done via conda. Now the goal is to further clean the installation of deeprank2 and deploy it on conda.
- Migrate all deps to conda (PR CI: move PyPI deps installation to conda #565)
- Start with the pytorch geom optional deps
- Then the rest
- Deploy
pdb2sqlon conda- Opened a PR on conda-forge (PR #25390)
- Testing the package locally doesn't work
- Let's try to put >= everywhere in the deps and then only when necessary fix the versions
- Use the conda installation for both the CI build and the dockerfile
- We use the PyPi release for now, but the idea is to not rely on pip dependencies anymore. We will have later two separate actions for testing the PyPI and the conda installations, or we will remove the PyPI installation entirely (we'll evaluate that).
- (Not TODO anymore) Deploy on conda (after CI: move PyPI deps installation to conda #565 will be merged and Fix
features_transformAttributeError inTrainer._save_modelmethod #570 will be solved)
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