dayhoff-tools 1.0.3__tar.gz → 1.0.5__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (32) hide show
  1. dayhoff_tools-1.0.5/PKG-INFO +58 -0
  2. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/cli/cloud_commands.py +2 -1
  3. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/cli/main.py +2 -0
  4. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/cli/utility_commands.py +14 -0
  5. dayhoff_tools-1.0.5/pyproject.toml +53 -0
  6. dayhoff_tools-1.0.3/PKG-INFO +0 -99
  7. dayhoff_tools-1.0.3/pyproject.toml +0 -86
  8. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/README.md +0 -0
  9. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/__init__.py +0 -0
  10. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/chemistry/standardizer.py +0 -0
  11. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/chemistry/utils.py +0 -0
  12. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/cli/__init__.py +0 -0
  13. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/cli/swarm_commands.py +0 -0
  14. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/base.py +0 -0
  15. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/deploy_aws.py +0 -0
  16. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/deploy_gcp.py +0 -0
  17. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/deploy_utils.py +0 -0
  18. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/job_runner.py +0 -0
  19. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/processors.py +0 -0
  20. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/deployment/swarm.py +0 -0
  21. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/embedders.py +0 -0
  22. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/fasta.py +0 -0
  23. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/file_ops.py +0 -0
  24. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/gcp.py +0 -0
  25. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/h5.py +0 -0
  26. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/kegg.py +0 -0
  27. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/logs.py +0 -0
  28. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/mmseqs.py +0 -0
  29. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/sqlite.py +0 -0
  30. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/structure.py +0 -0
  31. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/uniprot.py +0 -0
  32. {dayhoff_tools-1.0.3 → dayhoff_tools-1.0.5}/dayhoff_tools/warehouse.py +0 -0
@@ -0,0 +1,58 @@
1
+ Metadata-Version: 2.3
2
+ Name: dayhoff-tools
3
+ Version: 1.0.5
4
+ Summary: Common tools for all the repos at Dayhoff Labs
5
+ Author: Daniel Martin-Alarcon
6
+ Author-email: dma@dayhofflabs.com
7
+ Requires-Python: >=3.10,<4.0
8
+ Classifier: Programming Language :: Python :: 3
9
+ Classifier: Programming Language :: Python :: 3.10
10
+ Classifier: Programming Language :: Python :: 3.11
11
+ Classifier: Programming Language :: Python :: 3.12
12
+ Classifier: Programming Language :: Python :: 3.13
13
+ Provides-Extra: core
14
+ Requires-Dist: biopython (>=1.84) ; extra == "core"
15
+ Requires-Dist: boto3 (>=1.36.8) ; extra == "core"
16
+ Requires-Dist: docker (>=7.1.0) ; extra == "core"
17
+ Requires-Dist: fair-esm (>=2.0.0) ; extra == "core"
18
+ Requires-Dist: firebase-admin (>=6.5.0)
19
+ Requires-Dist: h5py (>=3.11.0) ; extra == "core"
20
+ Requires-Dist: pyyaml (>=6.0)
21
+ Requires-Dist: questionary (>=2.0.1) ; extra == "core"
22
+ Requires-Dist: requests (>=2.31.0)
23
+ Requires-Dist: typer (>=0.9.0)
24
+ Description-Content-Type: text/markdown
25
+
26
+ # dayhoff-tools
27
+
28
+ A set of small, sharp tools for everyone at Dayhoff. Hosted on PyPi, so you can Poetry or pip install like everything else.
29
+
30
+ ## Installation
31
+
32
+ The base package includes minimal dependencies required for core CLI functionality (like job running):
33
+
34
+ ```bash
35
+ pip install dayhoff-tools
36
+ # or
37
+ poetry add dayhoff-tools
38
+ ```
39
+
40
+ ### Optional Dependencies
41
+
42
+ You can install extra sets of dependencies using brackets. Available groups are:
43
+
44
+ * `core`: Includes common data science and bioinformatics tools (`biopython`, `boto3`, `docker`, `fair-esm`, `h5py`, `questionary`).
45
+ * `dev`: Includes development and testing tools (`black`, `pytest`, `pandas`, `numpy`, `torch`, etc.).
46
+ * `all`: Includes all dependencies from both `core` and `dev`.
47
+
48
+ **Examples:**
49
+
50
+ ```bash
51
+ # Install with core dependencies
52
+ pip install 'dayhoff-tools[core]'
53
+ poetry add 'dayhoff-tools[core]'
54
+
55
+ # Install with all dependencies
56
+ pip install 'dayhoff-tools[all]'
57
+ poetry add 'dayhoff-tools[all]'
58
+ ```
@@ -585,7 +585,8 @@ def aws_interactive():
585
585
  )
586
586
 
587
587
  elif choice == "Show status":
588
- aws_status()
588
+ # Fix: Explicitly pass None for the profile parameter
589
+ aws_status(profile=None)
589
590
 
590
591
  elif choice == "Exit":
591
592
  print(f"To activate profile {current_profile} in your current shell, run:")
@@ -10,6 +10,7 @@ from dayhoff_tools.cli.utility_commands import (
10
10
  import_from_warehouse_typer,
11
11
  rebuild_devcontainer_file,
12
12
  test_github_actions_locally,
13
+ update_dayhoff_tools,
13
14
  )
14
15
 
15
16
  app = typer.Typer()
@@ -18,6 +19,7 @@ app = typer.Typer()
18
19
  app.command("clean")(delete_local_branch)
19
20
  app.command("gha")(test_github_actions_locally)
20
21
  app.command("rebuild")(rebuild_devcontainer_file)
22
+ app.command("update")(update_dayhoff_tools)
21
23
  app.command("wadd")(add_to_warehouse_typer)
22
24
  app.command("wancestry")(get_ancestry)
23
25
  app.command("wimport")(import_from_warehouse_typer)
@@ -251,3 +251,17 @@ def build_and_upload_wheel(bump_part: str = "patch"):
251
251
  print(f"Error during build/upload: {e}")
252
252
  except Exception as e:
253
253
  print(f"An unexpected error occurred: {e}")
254
+
255
+
256
+ def update_dayhoff_tools():
257
+ """Update the dayhoff-tools package to the latest version using poetry."""
258
+ try:
259
+ print("Updating dayhoff-tools to the latest version...")
260
+ subprocess.run(["poetry", "update", "dayhoff-tools"], check=True)
261
+ print("Update complete!")
262
+ except subprocess.CalledProcessError as e:
263
+ print(f"Error occurred while updating: {e}")
264
+ sys.exit(1)
265
+ except FileNotFoundError:
266
+ print("Error: 'poetry' command not found. Make sure Poetry is installed.")
267
+ sys.exit(1)
@@ -0,0 +1,53 @@
1
+ [build-system]
2
+ requires = ["poetry-core>=2.0"]
3
+ build-backend = "poetry.core.masonry.api"
4
+
5
+ [project]
6
+ name = "dayhoff-tools"
7
+ version = "1.0.5"
8
+ description = "Common tools for all the repos at Dayhoff Labs"
9
+ authors = [
10
+ {name = "Daniel Martin-Alarcon", email = "dma@dayhofflabs.com"}
11
+ ]
12
+ readme = "README.md"
13
+ # Just enough deps to use the job_runner
14
+ dependencies = [
15
+ "firebase-admin>=6.5.0",
16
+ "pyyaml>=6.0",
17
+ "requests>=2.31.0",
18
+ "typer>=0.9.0",
19
+ ]
20
+
21
+ [project.optional-dependencies]
22
+ # Deps we expect to need to bring to new repos
23
+ core = [
24
+ "biopython>=1.84",
25
+ "boto3>=1.36.8",
26
+ "docker>=7.1.0",
27
+ "fair-esm>=2.0.0",
28
+ "h5py>=3.11.0",
29
+ "questionary>=2.0.1",
30
+ ]
31
+
32
+ [tool.poetry.group.dev.dependencies]
33
+ black = "^25.1.0"
34
+ colorlog = "^6.8.2"
35
+ dvc = "^3.48.2"
36
+ dvc-gs = "^3.0.1"
37
+ flake8 = "^7.0.0"
38
+ isort = "^5.13.2"
39
+ pylance = "^0.10.2"
40
+ pylint = "^3.1.0"
41
+ pytest = "^8.0.2"
42
+ pytest-cov = "^4.1.0"
43
+ pytest-mock = "^3.12.0"
44
+ ipykernel = "^6.29.5"
45
+
46
+ [project.scripts]
47
+ dh = "dayhoff_tools.cli.main:app"
48
+
49
+ [tool.poetry]
50
+ package-mode = true
51
+
52
+ [tool.poetry.dependencies]
53
+ python = ">=3.10,<4.0"
@@ -1,99 +0,0 @@
1
- Metadata-Version: 2.3
2
- Name: dayhoff-tools
3
- Version: 1.0.3
4
- Summary: Common tools for all the repos at Dayhoff Labs
5
- Author: Daniel Martin-Alarcon
6
- Author-email: dma@dayhofflabs.com
7
- Requires-Python: >=3.10,<4.0
8
- Classifier: Programming Language :: Python :: 3
9
- Classifier: Programming Language :: Python :: 3.10
10
- Classifier: Programming Language :: Python :: 3.11
11
- Classifier: Programming Language :: Python :: 3.12
12
- Classifier: Programming Language :: Python :: 3.13
13
- Provides-Extra: all
14
- Provides-Extra: core
15
- Provides-Extra: dev
16
- Requires-Dist: biopython (>=1.84) ; extra == "all"
17
- Requires-Dist: biopython (>=1.84) ; extra == "core"
18
- Requires-Dist: black (>=25.1.0) ; extra == "all"
19
- Requires-Dist: black (>=25.1.0) ; extra == "dev"
20
- Requires-Dist: boto3 (>=1.36.8) ; extra == "all"
21
- Requires-Dist: boto3 (>=1.36.8) ; extra == "core"
22
- Requires-Dist: colorlog (>=6.8.2) ; extra == "all"
23
- Requires-Dist: colorlog (>=6.8.2) ; extra == "dev"
24
- Requires-Dist: docker (>=7.1.0) ; extra == "all"
25
- Requires-Dist: docker (>=7.1.0) ; extra == "core"
26
- Requires-Dist: dvc (>=3.48.2) ; extra == "all"
27
- Requires-Dist: dvc (>=3.48.2) ; extra == "dev"
28
- Requires-Dist: dvc-gs (>=3.0.1) ; extra == "all"
29
- Requires-Dist: dvc-gs (>=3.0.1) ; extra == "dev"
30
- Requires-Dist: fair-esm (>=2.0.0) ; extra == "all"
31
- Requires-Dist: fair-esm (>=2.0.0) ; extra == "core"
32
- Requires-Dist: firebase-admin (>=6.5.0)
33
- Requires-Dist: flake8 (>=7.0.0) ; extra == "all"
34
- Requires-Dist: flake8 (>=7.0.0) ; extra == "dev"
35
- Requires-Dist: h5py (>=3.11.0) ; extra == "all"
36
- Requires-Dist: h5py (>=3.11.0) ; extra == "core"
37
- Requires-Dist: isort (>=5.13.2) ; extra == "all"
38
- Requires-Dist: isort (>=5.13.2) ; extra == "dev"
39
- Requires-Dist: numpy (<2.0.0) ; extra == "all"
40
- Requires-Dist: numpy (<2.0.0) ; extra == "dev"
41
- Requires-Dist: pandas (>=2.2.3) ; extra == "dev"
42
- Requires-Dist: pylance (>=0.10.2) ; extra == "all"
43
- Requires-Dist: pylance (>=0.10.2) ; extra == "dev"
44
- Requires-Dist: pylint (>=3.1.0) ; extra == "all"
45
- Requires-Dist: pylint (>=3.1.0) ; extra == "dev"
46
- Requires-Dist: pytest (>=8.0.2) ; extra == "all"
47
- Requires-Dist: pytest (>=8.0.2) ; extra == "dev"
48
- Requires-Dist: pytest-cov (>=4.1.0) ; extra == "all"
49
- Requires-Dist: pytest-cov (>=4.1.0) ; extra == "dev"
50
- Requires-Dist: pytest-mock (>=3.12.0) ; extra == "all"
51
- Requires-Dist: pytest-mock (>=3.12.0) ; extra == "dev"
52
- Requires-Dist: pyyaml (>=6.0)
53
- Requires-Dist: questionary (>=2.0.1) ; extra == "all"
54
- Requires-Dist: questionary (>=2.0.1) ; extra == "core"
55
- Requires-Dist: rdkit-pypi (>=2022.9.5) ; extra == "all"
56
- Requires-Dist: rdkit-pypi (>=2022.9.5) ; extra == "dev"
57
- Requires-Dist: requests (>=2.31.0)
58
- Requires-Dist: torch (>=1.10.0) ; extra == "all"
59
- Requires-Dist: torch (>=1.10.0) ; extra == "dev"
60
- Requires-Dist: torchvision (>=0.11.0) ; extra == "all"
61
- Requires-Dist: torchvision (>=0.11.0) ; extra == "dev"
62
- Requires-Dist: transformers (>=4.20.0) ; extra == "all"
63
- Requires-Dist: transformers (>=4.36.2) ; extra == "dev"
64
- Requires-Dist: typer (>=0.9.0)
65
- Description-Content-Type: text/markdown
66
-
67
- # dayhoff-tools
68
-
69
- A set of small, sharp tools for everyone at Dayhoff. Hosted on PyPi, so you can Poetry or pip install like everything else.
70
-
71
- ## Installation
72
-
73
- The base package includes minimal dependencies required for core CLI functionality (like job running):
74
-
75
- ```bash
76
- pip install dayhoff-tools
77
- # or
78
- poetry add dayhoff-tools
79
- ```
80
-
81
- ### Optional Dependencies
82
-
83
- You can install extra sets of dependencies using brackets. Available groups are:
84
-
85
- * `core`: Includes common data science and bioinformatics tools (`biopython`, `boto3`, `docker`, `fair-esm`, `h5py`, `questionary`).
86
- * `dev`: Includes development and testing tools (`black`, `pytest`, `pandas`, `numpy`, `torch`, etc.).
87
- * `all`: Includes all dependencies from both `core` and `dev`.
88
-
89
- **Examples:**
90
-
91
- ```bash
92
- # Install with core dependencies
93
- pip install 'dayhoff-tools[core]'
94
- poetry add 'dayhoff-tools[core]'
95
-
96
- # Install with all dependencies
97
- pip install 'dayhoff-tools[all]'
98
- poetry add 'dayhoff-tools[all]'
99
- ```
@@ -1,86 +0,0 @@
1
- [build-system]
2
- requires = ["poetry-core>=2.0"]
3
- build-backend = "poetry.core.masonry.api"
4
-
5
- [project]
6
- name = "dayhoff-tools"
7
- version = "1.0.3"
8
- description = "Common tools for all the repos at Dayhoff Labs"
9
- authors = [
10
- {name = "Daniel Martin-Alarcon", email = "dma@dayhofflabs.com"}
11
- ]
12
- readme = "README.md"
13
- requires-python = ">=3.10,<4.0"
14
- # Just enough deps to use the job_runner
15
- dependencies = [
16
- "firebase-admin>=6.5.0",
17
- "pyyaml>=6.0",
18
- "requests>=2.31.0",
19
- "typer>=0.9.0",
20
- ]
21
-
22
- [project.optional-dependencies]
23
- # Deps we expect to need to bring to new repos
24
- core = [
25
- "biopython>=1.84",
26
- "boto3>=1.36.8",
27
- "docker>=7.1.0",
28
- "fair-esm>=2.0.0",
29
- "h5py>=3.11.0",
30
- "questionary>=2.0.1",
31
- ]
32
-
33
- # deps we expect to find in other repos, and don't want to interfere with
34
- dev = [
35
- "black>=25.1.0",
36
- "colorlog>=6.8.2",
37
- "dvc>=3.48.2",
38
- "dvc-gs>=3.0.1",
39
- "flake8>=7.0.0",
40
- "isort>=5.13.2",
41
- "numpy<2.0.0",
42
- "pandas>=2.2.3",
43
- "pylance>=0.10.2",
44
- "pylint>=3.1.0",
45
- "pytest>=8.0.2",
46
- "pytest-cov>=4.1.0",
47
- "pytest-mock>=3.12.0",
48
- "rdkit-pypi>=2022.9.5",
49
- "torch>=1.10.0",
50
- "torchvision>=0.11.0",
51
- "transformers>=4.36.2",
52
- ]
53
-
54
- all = [
55
- # Core dependencies
56
- "biopython>=1.84",
57
- "boto3>=1.36.8",
58
- "docker>=7.1.0",
59
- "fair-esm>=2.0.0",
60
- "h5py>=3.11.0",
61
- "questionary>=2.0.1",
62
-
63
- # Dev dependencies
64
- "black>=25.1.0",
65
- "colorlog>=6.8.2",
66
- "dvc>=3.48.2",
67
- "dvc-gs>=3.0.1",
68
- "flake8>=7.0.0",
69
- "isort>=5.13.2",
70
- "numpy<2.0.0",
71
- "pylance>=0.10.2",
72
- "pylint>=3.1.0",
73
- "pytest>=8.0.2",
74
- "pytest-cov>=4.1.0",
75
- "pytest-mock>=3.12.0",
76
- "rdkit-pypi>=2022.9.5",
77
- "torch>=1.10.0",
78
- "torchvision>=0.11.0",
79
- "transformers>=4.20.0",
80
- ]
81
-
82
- [project.scripts]
83
- dh = "dayhoff_tools.cli.main:app"
84
-
85
- [tool.poetry]
86
- package-mode = true
File without changes