dayhoff-tools 1.0.14__tar.gz → 1.0.16__tar.gz

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Files changed (30) hide show
  1. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/PKG-INFO +3 -3
  2. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/cli/utility_commands.py +12 -9
  3. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/pyproject.toml +4 -14
  4. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/README.md +0 -0
  5. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/__init__.py +0 -0
  6. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/chemistry/standardizer.py +0 -0
  7. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/chemistry/utils.py +0 -0
  8. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/cli/__init__.py +0 -0
  9. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/cli/cloud_commands.py +0 -0
  10. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/cli/main.py +0 -0
  11. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/cli/swarm_commands.py +0 -0
  12. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/base.py +0 -0
  13. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/deploy_aws.py +0 -0
  14. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/deploy_gcp.py +0 -0
  15. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/deploy_utils.py +0 -0
  16. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/job_runner.py +0 -0
  17. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/processors.py +0 -0
  18. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/deployment/swarm.py +0 -0
  19. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/embedders.py +0 -0
  20. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/fasta.py +0 -0
  21. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/file_ops.py +0 -0
  22. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/gcp.py +0 -0
  23. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/h5.py +0 -0
  24. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/kegg.py +0 -0
  25. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/logs.py +0 -0
  26. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/mmseqs.py +0 -0
  27. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/sqlite.py +0 -0
  28. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/structure.py +0 -0
  29. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/uniprot.py +0 -0
  30. {dayhoff_tools-1.0.14 → dayhoff_tools-1.0.16}/dayhoff_tools/warehouse.py +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.3
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  Name: dayhoff-tools
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- Version: 1.0.14
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+ Version: 1.0.16
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  Summary: Common tools for all the repos at Dayhoff Labs
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  Author: Daniel Martin-Alarcon
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  Author-email: dma@dayhofflabs.com
@@ -23,8 +23,8 @@ Requires-Dist: questionary (>=2.0.1) ; extra == "full"
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  Requires-Dist: rdkit-pypi (>=2022.9.5) ; extra == "full"
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  Requires-Dist: requests (>=2.31.0)
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  Requires-Dist: sqlalchemy (>=2.0.40,<3.0.0) ; extra == "full"
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- Requires-Dist: torch (==2.4.0+cu121) ; extra == "full"
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- Requires-Dist: torchvision (==0.19.0+cu121) ; extra == "full"
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+ Requires-Dist: torch (>=2.1.0) ; extra == "full"
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+ Requires-Dist: torchvision (>=0.16.0) ; extra == "full"
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  Requires-Dist: transformers (==4.36.2) ; extra == "full"
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  Requires-Dist: typer (>=0.9.0)
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  Description-Content-Type: text/markdown
@@ -357,19 +357,22 @@ def build_and_upload_wheel(bump_part: str = "patch"):
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  def update_dayhoff_tools():
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  """Update the dayhoff-tools package to the latest version using uv.
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- Runs `uv add dayhoff-tools@latest` which updates pyproject.toml and uv.lock.
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+ Runs `uv add dayhoff-tools@latest --group common` which attempts to update
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+ dayhoff-tools within the 'common' dependency group.
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  """
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  try:
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- print("Updating dayhoff-tools to the latest version using uv...")
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- # Use uv add to update the package and lock file
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- subprocess.run(["uv", "add", "dayhoff-tools@latest"], check=True)
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- print("Update complete!")
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+ print(
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+ "Updating dayhoff-tools to the latest version in 'common' group using uv..."
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+ )
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+ # Use uv add with --group common to explicitly target the dependency
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+ subprocess.run(
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+ ["uv", "add", "dayhoff-tools@latest", "--group", "common"], check=True
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+ )
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+ print(
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+ "Update complete! Run 'uv sync --group common' or relevant sync command if needed."
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+ )
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  except subprocess.CalledProcessError as e:
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  print(f"Error occurred while updating: {e}")
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- sys.exit(1)
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- except FileNotFoundError:
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- print("Error: 'uv' command not found. Is uv installed and in PATH?")
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- sys.exit(1)
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  def sync_dependencies():
@@ -4,7 +4,7 @@ build-backend = "poetry.core.masonry.api"
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  [project]
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  name = "dayhoff-tools"
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- version = "1.0.14"
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+ version = "1.0.16"
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  description = "Common tools for all the repos at Dayhoff Labs"
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  authors = [
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  {name = "Daniel Martin-Alarcon", email = "dma@dayhofflabs.com"}
@@ -32,21 +32,11 @@ full = [
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  "rdkit-pypi>=2022.9.5",
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  "sqlalchemy (>=2.0.40,<3.0.0)",
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  "transformers==4.36.2",
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- "torch==2.4.0+cu121",
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- "torchvision==0.19.0+cu121",
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+ "torch>=2.1.0",
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+ "torchvision>=0.16.0",
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  ]
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- # Specific configuration for PyTorch source
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- [[tool.uv.index]]
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- name = "torch-cuda"
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- url = "https://download.pytorch.org/whl/cu121"
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- explicit = true
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-
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- [tool.uv.sources]
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- torch = { index = "torch-cuda" }
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- torchvision = { index = "torch-cuda" }
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-
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- [dependency-groups] # Top-level table for groups
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+ [tool.uv.dependency-groups]
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  common = [
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  "black>=25.1.0,<26",
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  "boto3>=1.36.8",
File without changes