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.github/workflows/publish.yml
@@ -111,6 +111,7 @@ jobs:
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- name: Publish distribution 📦 to Acellera PyPI
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run: |
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pip install build twine keyring keyrings.google-artifactregistry-auth
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+ pip install -U packaging
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twine upload --repository-url https://us-central1-python.pkg.dev/985405645423/${{ matrix.cuda }} dist/* --verbose
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# publish-to-official-pypi:
pyproject.toml
@@ -3,6 +3,7 @@ name = "torchmd-net"
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description = "TorchMD-NET provides state-of-the-art neural networks potentials for biomolecular systems"
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authors = [{ name = "Acellera", email = "[email protected]" }]
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readme = "README.md"
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+license = "MIT"
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requires-python = ">=3.8"
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dynamic = ["version"]
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classifiers = [
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