From 653c1b7ebc4e2927256914efc0ae22d26c74c580 Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Tue, 29 Sep 2026 16:59:43 +0100 Subject: [PATCH] deps: widen dependency ranges and fix wheel-unavailable version floors --- conda-recipe/meta.yaml | 30 +++++++++++++--------------- pyproject.toml | 45 +++++++++++++++++++----------------------- 2 files changed, 34 insertions(+), 41 deletions(-) diff --git a/conda-recipe/meta.yaml b/conda-recipe/meta.yaml index 546db8c4..d8dfa0e9 100644 --- a/conda-recipe/meta.yaml +++ b/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: diff --git a/pyproject.toml b/pyproject.toml index 8c717c43..6ffe5b57 100644 --- a/pyproject.toml +++ b/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" ]