From a5a50c58aa71f70582a387da31ae86ee9de0f14d Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 13 Apr 2026 03:50:18 +0000 Subject: [PATCH] Bump the all group with 17 updates Updates the requirements on [chemprop](https://github.com/chemprop/chemprop), [lightning](https://github.com/Lightning-AI/pytorch-lightning), [torch](https://github.com/pytorch/pytorch), [rdkit](https://github.com/rdkit/rdkit), [pandas](https://github.com/pandas-dev/pandas), [numpy](https://github.com/numpy/numpy), [scipy](https://github.com/scipy/scipy), [click](https://github.com/pallets/click), [pyyaml](https://github.com/yaml/pyyaml), [rich](https://github.com/Textualize/rich), [matplotlib](https://github.com/matplotlib/matplotlib), [pillow](https://github.com/python-pillow/Pillow), [plotly](https://github.com/plotly/plotly.py), [dash](https://github.com/plotly/dash), [pytest](https://github.com/pytest-dev/pytest), [pytest-cov](https://github.com/pytest-dev/pytest-cov) and [setuptools](https://github.com/pypa/setuptools) to permit the latest version. Updates `chemprop` to 2.2.3 - [Release notes](https://github.com/chemprop/chemprop/releases) - [Commits](https://github.com/chemprop/chemprop/compare/v2.0.0...v2.2.3) Updates `lightning` to 2.6.1 - [Release notes](https://github.com/Lightning-AI/pytorch-lightning/releases) - [Commits](https://github.com/Lightning-AI/pytorch-lightning/compare/2.0.0...2.6.1) Updates `torch` to 2.11.0 - [Release notes](https://github.com/pytorch/pytorch/releases) - [Changelog](https://github.com/pytorch/pytorch/blob/main/RELEASE.md) - [Commits](https://github.com/pytorch/pytorch/compare/ciflow/torchtitan/163335...v2.11.0) Updates `rdkit` to 2026.3.1 - [Release notes](https://github.com/rdkit/rdkit/releases) - [Changelog](https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md) - [Commits](https://github.com/rdkit/rdkit/commits) Updates `pandas` to 3.0.2 - [Release notes](https://github.com/pandas-dev/pandas/releases) - [Commits](https://github.com/pandas-dev/pandas/compare/v2.0.0...v3.0.2) Updates `numpy` to 2.4.4 - [Release notes](https://github.com/numpy/numpy/releases) - [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst) - [Commits](https://github.com/numpy/numpy/compare/v1.25.0...v2.4.4) Updates `scipy` to 1.17.1 - [Release notes](https://github.com/scipy/scipy/releases) - [Commits](https://github.com/scipy/scipy/compare/v1.11.0...v1.17.1) Updates `click` to 8.3.2 - [Release notes](https://github.com/pallets/click/releases) - [Changelog](https://github.com/pallets/click/blob/main/CHANGES.rst) - [Commits](https://github.com/pallets/click/compare/8.1.0...8.3.2) Updates `pyyaml` to 6.0.3 - [Release notes](https://github.com/yaml/pyyaml/releases) - [Changelog](https://github.com/yaml/pyyaml/blob/6.0.3/CHANGES) - [Commits](https://github.com/yaml/pyyaml/compare/6.0...6.0.3) Updates `rich` to 15.0.0 - [Release notes](https://github.com/Textualize/rich/releases) - [Changelog](https://github.com/Textualize/rich/blob/master/CHANGELOG.md) - [Commits](https://github.com/Textualize/rich/compare/v13.0.0...v15.0.0) Updates `matplotlib` to 3.10.8 - [Release notes](https://github.com/matplotlib/matplotlib/releases) - [Commits](https://github.com/matplotlib/matplotlib/compare/v3.7.0...v3.10.8) Updates `pillow` to 12.2.0 - [Release notes](https://github.com/python-pillow/Pillow/releases) - [Changelog](https://github.com/python-pillow/Pillow/blob/main/CHANGES.rst) - [Commits](https://github.com/python-pillow/Pillow/compare/9.0.0...12.2.0) Updates `plotly` to 6.7.0 - [Release notes](https://github.com/plotly/plotly.py/releases) - [Changelog](https://github.com/plotly/plotly.py/blob/main/CHANGELOG.md) - [Commits](https://github.com/plotly/plotly.py/compare/v5.0.0...v6.7.0) Updates `dash` to 4.1.0 - [Release notes](https://github.com/plotly/dash/releases) - [Changelog](https://github.com/plotly/dash/blob/dev/CHANGELOG.md) - [Commits](https://github.com/plotly/dash/compare/v2.0.0...v4.1.0) Updates `pytest` to 9.0.3 - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](https://github.com/pytest-dev/pytest/compare/7.4.0...9.0.3) Updates `pytest-cov` to 7.1.0 - [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst) - [Commits](https://github.com/pytest-dev/pytest-cov/compare/v4.1.0...v7.1.0) Updates `setuptools` to 82.0.1 - [Release notes](https://github.com/pypa/setuptools/releases) - [Changelog](https://github.com/pypa/setuptools/blob/main/NEWS.rst) - [Commits](https://github.com/pypa/setuptools/compare/v61.0.0...v82.0.1) --- updated-dependencies: - dependency-name: chemprop dependency-version: 2.2.3 dependency-type: direct:production dependency-group: all - dependency-name: lightning dependency-version: 2.6.1 dependency-type: direct:production dependency-group: all - dependency-name: torch dependency-version: 2.11.0 dependency-type: direct:production dependency-group: all - dependency-name: rdkit dependency-version: 2026.3.1 dependency-type: direct:production dependency-group: all - dependency-name: pandas dependency-version: 3.0.2 dependency-type: direct:production dependency-group: all - dependency-name: numpy dependency-version: 2.4.4 dependency-type: direct:production dependency-group: all - dependency-name: scipy dependency-version: 1.17.1 dependency-type: direct:production dependency-group: all - dependency-name: click dependency-version: 8.3.2 dependency-type: direct:production dependency-group: all - dependency-name: pyyaml dependency-version: 6.0.3 dependency-type: direct:production dependency-group: all - dependency-name: rich dependency-version: 15.0.0 dependency-type: direct:production dependency-group: all - dependency-name: matplotlib dependency-version: 3.10.8 dependency-type: direct:production dependency-group: all - dependency-name: pillow dependency-version: 12.2.0 dependency-type: direct:production dependency-group: all - dependency-name: plotly dependency-version: 6.7.0 dependency-type: direct:production dependency-group: all - dependency-name: dash dependency-version: 4.1.0 dependency-type: direct:production dependency-group: all - dependency-name: pytest dependency-version: 9.0.3 dependency-type: direct:development dependency-group: all - dependency-name: pytest-cov dependency-version: 7.1.0 dependency-type: direct:development dependency-group: all - dependency-name: setuptools dependency-version: 82.0.1 dependency-type: direct:development dependency-group: all ... Signed-off-by: dependabot[bot] --- pyproject.toml | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index f2c1c7c..4952425 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,5 +1,5 @@ [build-system] -requires = ["setuptools>=61", "wheel"] +requires = ["setuptools>=82.0.1", "wheel"] build-backend = "setuptools.build_meta" [project] @@ -8,26 +8,26 @@ version = "0.1.0" description = "Cost-aware synthetic active learning pipeline for cheminformatics" requires-python = ">=3.11" dependencies = [ - "chemprop>=2.0,<3.0", - "lightning>=2.0", - "torch>=2.0", - "rdkit>=2023.3", - "pandas>=2.0", - "numpy>=1.25", - "scipy>=1.11", - "click>=8.1", - "pyyaml>=6.0", - "rich>=13.0", - "matplotlib>=3.7", - "Pillow>=9.0", - "plotly>=5.0", - "dash>=2.0", + "chemprop>=2.2.3,<3.0", + "lightning>=2.6.1", + "torch>=2.11.0", + "rdkit>=2026.3.1", + "pandas>=3.0.2", + "numpy>=2.4.4", + "scipy>=1.17.1", + "click>=8.3.2", + "pyyaml>=6.0.3", + "rich>=15.0.0", + "matplotlib>=3.10.8", + "Pillow>=12.2.0", + "plotly>=6.7.0", + "dash>=4.1.0", ] [project.optional-dependencies] dev = [ - "pytest>=7.4", - "pytest-cov>=4.1", + "pytest>=9.0.3", + "pytest-cov>=7.1.0", "ruff", "mypy", "types-PyYAML",