[skip ci]

Signed-off-by: Polina Binder <[email protected]>

internal/Pypi_publish.md

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+This is an overview of how to release bionemo sub-packages.
+
+1. The code should be in a sub-directory of `bionemo-framework/sub-packages`. The package should be named bionemo-<package_name>. For an example of file structure, see https://github.com/NVIDIA/bionemo-framework/tree/main/sub-packages/bionemo-scdl.
+2. The file dependencies should be in `pyproject.toml`.
+3. Create some tests that can be run in a notebook within the package or as a small python script that verifies that the package is correctly installed. These can be re-purposed for QA test plan.
+4. In the VERSION file in the root of the sub-package, set the package version. Currently, the sub-package versions are independent of the overall BioNeMo version. An ideal approach is to specify the bionemo sub-package versions. That the package depends on. This may create issues. For example, an issue could arise if the latest version of your sub-package depends on the newest bionemo-core, but the latest pushed version of bionemo-core does not have these changes. It may be necessary to update bionemo-core then, but before updating another package, it should be tested and its authors should be consulted.
+5. Make sure that the directory dist doesn’t exist or is empty.
+6. Run `python -m build .`
+7. Create a test-pypi and pypi account if you don’t have one at: https://test.pypi.org/ and https://pypi.org/
+8. Upload to test-pypi with:
+ `twine upload --repository-url https://test.pypi.org/legacy/ dist/* --non-interactive -u $TWINE_USERNAME -p $TWINE_PASSWORD`
+9. In a clean python environment, download the package from test-pypi:
+`pip install --index-url https://test.pypi.org/simple/ --no-deps package-name`
+10. Run the code/notebooks from step 3.
+11. If everything looks good, upload it to the actual pypi repository: `twine upload  dist/* --non-interactive -u $TWINE_USERNAME -p $TWINE_PASSWORD --verbose`
+12. Run steps 7 and 8 with pypi instead of test-pypi.