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This is an overview of how to release bionemo sub-packages.
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01. 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 the directory structure, see https://github.com/NVIDIA/bionemo-framework/tree/main/sub-packages/bionemo-scdl.
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The directory should contain:
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- a `pyproject.toml` file with the dependencies
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08. In a clean python environment, download the package from test-pypi:
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 the directory structure, see https://github.com/NVIDIA/bionemo-framework/tree/main/sub-packages/bionemo-scdl.
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The directory should contain:
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- a `pyproject.toml` file with the dependencies
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- a `README.md`
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- a `LICENSE` file
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- a `VERSION` file
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- the source code should be in src/bionemo/package-name.
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- the test should be in tests/bionemo/package-name. The test directory structure should be the same as the source code directory structure.
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2. 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.
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3. 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.
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4. Make sure that the directory dist doesn’t exist or is empty.
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5. Run `python -m build .`
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6. Create a test-pypi and pypi account if you don’t have one at: https://test.pypi.org/ and https://pypi.org/
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10. If everything looks good, upload it to the actual pypi repository: `twine upload dist/* --non-interactive -u $TWINE_USERNAME -p $TWINE_PASSWORD --verbose`
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11. Run steps 7 and 8 with pypi instead of test-pypi.
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