Merge pull request #429 from CCPBioSim/419-general-improve-renovate-dependency-management

Align and Widen Dependency Version Constraints

Author: harryswift01

conda-recipe/meta.yaml

@@ -12,7 +12,7 @@ build:
   noarch: python
   script: |
     python -m pip install . -vv --no-deps
-    PIP_NO_INDEX=0 python -m pip install -vv --index-url https://pypi.org/simple waterEntropy
+    PIP_NO_INDEX=0 python -m pip install -vv --index-url https://pypi.org/simple "waterEntropy>=2,<3.0"
   entry_points:
     - CodeEntropy=CodeEntropy.cli:main
 
@@ -23,22 +23,20 @@ requirements:
     - flit-core >=4,<5
   run:
     - python >=3.12
-    - numpy >=2.3,<3.0
+    - numpy >=2.3.2,<2.5.0
     - mdanalysis >=2.10,<3.0
-    - pandas >=3,<3.1
-    - psutil >=7.1,<8.0
-    - pyyaml >=6.0,<7.0
-    - python-json-logger >=4.0,<5.0
-    - rich >=15,<15.1
-    - python-art >=6.5,<7.0
-    - networkx >=3.6,<3.7
-    - matplotlib >=3.11,<3.12
-    - requests >=2.32,<3.0
-    - rdkit>=2025.9.5
-    - dask >=2026.1.2,<2026.2.0
-    - distributed >=2026.1.2,<2026.2.0
-    - dask-jobqueue >=0.9,<0.10
-    - numba >=0.65.1, <0.70
+    - pandas >=2.3.3,<4.0
+    - psutil >=5.9.4,<8.0
+    - pyyaml >=6.0.3,<7.0
+    - rich >=13.0.0,<16.0
+    - python-art >=5.0,<7.0
+    - networkx >=2.8,<4.0
+    - requests >=2.32.2,<3.0
+    - rdkit >=2025.3.4,<2026
+    - dask >=2025.4.0,<2027.1.0
+    - distributed >=2025.4.0,<2027.1.0
+    - dask-jobqueue >=0.9.0,<1.0
+    - numba >=0.63.0,<0.70
 
 test:
   imports:

pyproject.toml

@@ -37,23 +37,21 @@ classifiers = [
 keywords = ["entropy", "macromolecular systems", "MD simulation"]
 requires-python = ">=3.12"
 dependencies = [
-    "numpy>=2.3,<3.0",
+    "numpy>=2.3.2,<2.5.0",
     "mdanalysis>=2.10,<3.0",
-    "pandas>=3,<3.1",
-    "psutil>=7.1,<8.0",
-    "PyYAML>=6.0,<7.0",
-    "python-json-logger>=4.0,<5.0",
-    "rich>=15,<15.1",
-    "art>=6.5,<7.0",
-    "networkx>=3.6,<3.7",
-    "matplotlib>=3.11,<3.12",
-    "waterEntropy>=2,<2.3",
-    "requests>=2.32,<3.0",
-    "rdkit>=2025.9.5",
-    "numba>=0.65.1,<0.70",
-    "dask>=2026.1.2,<2026.2.0",
-    "dask-jobqueue>=0.9.0,<0.10",
-    "distributed>=2026.1.2,<2026.2.0",
+    "pandas>=2.3.3,<4.0",
+    "psutil>=5.9.4,<8.0",
+    "PyYAML>=6.0.3,<7.0",
+    "rich>=13.0.0,<16.0",
+    "art>=5.0,<7.0",
+    "networkx>=2.8,<4.0",
+    "waterEntropy>=2,<3.0",
+    "requests>=2.32.2,<3.0",
+    "rdkit>=2025.3.4,<2026",
+    "numba>=0.63.0,<0.70",
+    "dask>=2025.4.0,<2027.1.0",
+    "dask-jobqueue>=0.9.0,<1.0",
+    "distributed>=2025.4.0,<2027.1.0",
 ]
 
 [project.urls]
@@ -68,19 +66,16 @@ testing = [
     "pytest-sugar>=1.1,<2.0",
 ]
 pre-commit = [
-    "pre-commit>=4.5,<5.0",
-    "ruff>=0.16,<0.17",
-    "pylint>=4.0,<5.0",
+    "pre-commit>=3.5.0,<5.0",
+    "ruff>=0.15.2,<1.0",
+    "pylint>=3.0.0,<5.0",
     "rstcheck>=6.2,<7.0"
 ]
 docs = [
-    "sphinx>=9.1,<9.2",
-    "nbsphinx>=0.9,<1.0",
-    "sphinx_rtd_theme>=3,<3.2",
-    "sphinxcontrib-contentui>=0.2,<1.0",
-    "sphinxcontrib-details-directive>=0.1,<1.0",
+    "sphinx>=8.0.0,<10.0",
+    "nbsphinx>=0.9.3,<1.0",
     "sphinx_copybutton>=0.5,<1.0",
-    "furo>=2025.0,<2026.0",
+    "furo>=2025.12.19,<2026.0",
     "markupsafe>=3.0,<4.0"
 ]