dayhoff-tools 1.0.4__tar.gz → 1.0.6__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-1.0.6/PKG-INFO +58 -0
  2. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/cli/cloud_commands.py +4 -0
  3. dayhoff_tools-1.0.6/pyproject.toml +53 -0
  4. dayhoff_tools-1.0.4/PKG-INFO +0 -99
  5. dayhoff_tools-1.0.4/pyproject.toml +0 -86
  6. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/README.md +0 -0
  7. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/__init__.py +0 -0
  8. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/chemistry/standardizer.py +0 -0
  9. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/chemistry/utils.py +0 -0
  10. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/cli/__init__.py +0 -0
  11. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/cli/main.py +0 -0
  12. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/cli/swarm_commands.py +0 -0
  13. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/cli/utility_commands.py +0 -0
  14. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/base.py +0 -0
  15. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/deploy_aws.py +0 -0
  16. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/deploy_gcp.py +0 -0
  17. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/deploy_utils.py +0 -0
  18. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/job_runner.py +0 -0
  19. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/processors.py +0 -0
  20. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/deployment/swarm.py +0 -0
  21. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/embedders.py +0 -0
  22. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/fasta.py +0 -0
  23. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/file_ops.py +0 -0
  24. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/gcp.py +0 -0
  25. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/h5.py +0 -0
  26. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/kegg.py +0 -0
  27. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/logs.py +0 -0
  28. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/mmseqs.py +0 -0
  29. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/sqlite.py +0 -0
  30. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/structure.py +0 -0
  31. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/uniprot.py +0 -0
  32. {dayhoff_tools-1.0.4 → dayhoff_tools-1.0.6}/dayhoff_tools/warehouse.py +0 -0
@@ -0,0 +1,58 @@
1
+ Metadata-Version: 2.3
2
+ Name: dayhoff-tools
3
+ Version: 1.0.6
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
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+
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
+ ```
@@ -371,11 +371,13 @@ def gcp_use_devcon(
371
371
 
372
372
  # Modify RC files to persist across sessions
373
373
  _modify_rc_files("CLOUDSDK_AUTH_IMPERSONATE_SERVICE_ACCOUNT", f"'{GCP_DEVCON_SA}'")
374
+ _modify_rc_files("GOOGLE_IMPERSONATE_SERVICE_ACCOUNT", f"'{GCP_DEVCON_SA}'")
374
375
  _modify_rc_files("GOOGLE_CLOUD_PROJECT", f"'{GCP_PROJECT_ID}'")
375
376
 
376
377
  if export:
377
378
  # Print export commands for the current shell to stdout
378
379
  print(f"export CLOUDSDK_AUTH_IMPERSONATE_SERVICE_ACCOUNT='{GCP_DEVCON_SA}'")
380
+ print(f"export GOOGLE_IMPERSONATE_SERVICE_ACCOUNT='{GCP_DEVCON_SA}'")
379
381
  print(f"export GOOGLE_CLOUD_PROJECT='{GCP_PROJECT_ID}'")
380
382
 
381
383
  # Print confirmation to stderr so it doesn't affect eval
@@ -421,11 +423,13 @@ def gcp_use_user(
421
423
 
422
424
  # Modify RC files to persist across sessions
423
425
  _modify_rc_files("CLOUDSDK_AUTH_IMPERSONATE_SERVICE_ACCOUNT", None)
426
+ _modify_rc_files("GOOGLE_IMPERSONATE_SERVICE_ACCOUNT", None)
424
427
  _modify_rc_files("GOOGLE_CLOUD_PROJECT", f"'{GCP_PROJECT_ID}'")
425
428
 
426
429
  if export:
427
430
  # Print export commands for the current shell to stdout
428
431
  print(f"unset CLOUDSDK_AUTH_IMPERSONATE_SERVICE_ACCOUNT")
432
+ print(f"unset GOOGLE_IMPERSONATE_SERVICE_ACCOUNT")
429
433
  print(f"export GOOGLE_CLOUD_PROJECT='{GCP_PROJECT_ID}'")
430
434
 
431
435
  # Print confirmation to stderr so it doesn't affect eval
@@ -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 = "1.0.6"
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: 1.0.4
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 = "1.0.4"
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