Bump the all group with 17 updates#11
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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](chemprop/chemprop@v2.0.0...v2.2.3) Updates `lightning` to 2.6.1 - [Release notes](https://github.com/Lightning-AI/pytorch-lightning/releases) - [Commits](Lightning-AI/pytorch-lightning@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](pytorch/pytorch@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](pandas-dev/pandas@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](numpy/numpy@v1.25.0...v2.4.4) Updates `scipy` to 1.17.1 - [Release notes](https://github.com/scipy/scipy/releases) - [Commits](scipy/scipy@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](pallets/click@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](yaml/pyyaml@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](Textualize/rich@v13.0.0...v15.0.0) Updates `matplotlib` to 3.10.8 - [Release notes](https://github.com/matplotlib/matplotlib/releases) - [Commits](matplotlib/matplotlib@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](python-pillow/Pillow@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](plotly/plotly.py@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](plotly/dash@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](pytest-dev/pytest@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](pytest-dev/pytest-cov@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](pypa/setuptools@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 ... 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Updates the requirements on chemprop, lightning, torch, rdkit, pandas, numpy, scipy, click, pyyaml, rich, matplotlib, pillow, plotly, dash, pytest, pytest-cov and setuptools to permit the latest version.
Updates
chempropto 2.2.3Release notes
Sourced from chemprop's releases.
Commits
c83f483Bump version: 2.2.2 → 2.2.3ec8adf6Rework & expand --save-smiles-splits (#1283)ccd47c7Remove exit line mistake (#1346)5e37ac6fix type of_T_default_criterionand_T_default_metricin `_FFNPredictorB...bcab5b3fix python 3.13+ compat (#1343)9dfa701Use raw strings for math docs (#1342)e3c13f0Update 2.2.2_requirements.txt (#1333)a28cd35add v2.2.2 requirements (#1332)b75ace5Expand cuik-molmaker support (#1319)398b2e8Make MAB with missing values work in pandas 3 (#1329)Updates
lightningto 2.6.1Release notes
Sourced from lightning's releases.
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Commits
655a3a9bump(deps): bumplitloggerversion to>=0.1.7(#21517)300c05aPrepare release 2.6.1 (#21516)dc16bc5build(deps): update setuptools requirement from <80.9.1 to <80.10.3 in /requi...6ee3800build(deps): update torchvision requirement from <0.25.0,>=0.16.0 to >=0.16.0...6478f8eFixsave_hyperparametersignore precedence in subclasses (#21490)2712587CI: fix doctest failure from PyTorch LeafSpec FutureWarning (#21502)ae1dc6ffix(link-check): resolve broken URLs (#21493)f0b1c52fix(fabric): forward set_epoch to underlying sampler in DistributedSamplerWra...bddc253Fix warning frequency in throughput monitor callback (#21453)2f4b58abuild(deps): update numpy requirement from <2.3.5,>2.1.0 to >2.1.0,<2.4.2 in ...Updates
torchto 2.11.0Release notes
Sourced from torch's releases.
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Changelog
Sourced from torch's changelog.
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Commits
70d99e9[release only] Increase timeout for rocm libtorch and manywheel builds (#178006)3e05c5a[MPS] Properly handle conjugated tensors in bmm (#178010)db741c7[MPS] fix compiling of SDPA producing nan results (#178009)483b55dUpdate pytorch_sphinx_theme2 version to 0.4.6 (#177616)7f2cdeb[windows][smoke test] Add an option to install cuda if required cuda/cudnn on...76fd078[release-only] Fix libtorch builds. Fix lint (#177299)fa384de[Inductor][MPS] Fix half-precision type mismatches in Metal shader codegen (#...036b25fLet stable::from_blob accept a lambda as deleter (cherry-pick) (#176440)41f8e3e[CI] Stop using G3 runners (#177161)e2fa295[CD] Unpin cuda-bindings dependencies (#177159)Updates
rdkitto 2026.3.1Changelog
Sourced from rdkit's changelog.
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Commits
Updates
pandasto 3.0.2Release notes
Sourced from pandas's releases.
Commits
ab90747RLS: 3.0.2 (#64934)6f27013Backport PR #64931 on branch 3.0.x (DOC/BLD: temporary disable upload of docs...48ddc60Backport PR #64664 on branch 3.0.x (BUG: DataFrame.sum() crashes on empty Dat...8774488[backport 3.0.x] PERF: fix slow python loop in validation for ArrowStringArra...33af6ccBackport PR #64133 on branch 3.0.x (BUG: str.find returns byte offset instead...4ef49d8[backport 3.0.x] BUG: fix convert_dtypes dropping values from sliced mixed-dt...0668f34[backport 3.0.x] BUG: Fix HDFStore.put with StringDtype columns and compressi...23f2f44[backport 3.0.x] BUG: Suppress unnecessary RuntimeWarning in to_datetime with...83ba804Backport PR #64886: BUG: Compute Variance of Complex Numbers Correctly (#64892)bb5ca1aBackport PR #64386 on branch 3.0.x (BUG: fix sort_index AssertionError with R...Updates
numpyto 2.4.4Release notes
Sourced from numpy's releases.
Changelog
Sourced from numpy's changelog.
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Commits
be93fe2Merge pull request #31090 from charris/prepare-2.4.4f5245dcREL: Prepare for the NumPy 2.4.4 release02e838bMerge pull request #31084 from charris/backport-31056fa74b2dMAINT: numpy.i: Replace deprecatedsprintfwithsnprintf(#31056)533a6dbMerge pull request #31079 from charris/backport-208019e496cbTST: fix POWER VSX feature mapping (#30801)8052c4bMerge pull request #31058 from charris/backport-310217f13b5aMAINT: Skip test on PyPy.4c5fdd6MAINT: Remove unused import of tracemalloc.a3ca5edUpdate numpy/_core/src/multiarray/shape.cUpdates
scipyto 1.17.1Release notes
Sourced from scipy's releases.
Commits
527eb7fREL: 1.17.1 release commit [wheel build]f11663bMerge pull request #24584 from tylerjereddy/treddy_prep_1.17.12c49e68DOC: PR 24584 revisions400fa15safely convert index dtypes to intc for csgraph and superLU8c70404MAINT: PR 24584 revisions [wheel build]6dda8c1BUG: PR 24584 revisions4a187e5DOC: PR 24584 revisions463ee9fENH: linalg/inv: re-enable overwrite_a for 2D inputs (#24442)df746eeBUG: linalg: restore dtypes in inv, solve, det246bfeeMAINT:optimize: Enable multi-phase init to DIRECTUpdates
clickto 8.3.2Release notes
Sourced from click's releases.
Changelog
Sourced from click's changelog.
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Commits
052c006Change update release date.502b7ceMerge branch 'stable' of https://github.com/pallets/click into release-8.3.2a0a37e4Change publish to werkzeug latest. (#3301)57be6fcChange publish to werkzeug latest.781d6a8Update publish workflows (#3266)ff795b6Update precommit pins with toxdd87ef4Update github action pins with tox93d3f9dRelease version 8.3.23299ba1Add missing PR to changelog. (#3264)b7f62c4Add missing PR to changelog.Updates
pyyamlto 6.0.3Release notes
Sourced from pyyaml's releases.
Changelog
Sourced from pyyaml's changelog.
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Commits
49790e7Release 6.0.3 (#889)41309b0Release 6.0.2 (#819)dd9f0e16.0.2rc1 (#809)f5527a2disable CI trigger on PR editsb4d80a7Python 3.12 + musllinux_1_1_x86_64 wheel supportc42fa3b6.0.1 releaseae08bdcblock Cython 3.0+ as a build dep (#702)f873cfeAdd python 3.11 support (#663)Updates
richto 15.0.0Release notes
Sourced from rich's releases.
Changelog
Sourced from rich's changelog.
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Commits
6ac483ccorrection458a910Merge pull request #4080 from Textualize/bump150082e06e0changelogd6556bcbump to 15.0.0ffe2edcMerge pull request #4079 from Textualize/inline-table-codecf3b5a1changelog77f0edbremove comments7ef2d05fix inline code in table cells19c67b9Merge pull request #4077 from Textualize/isattry494b795changelogUpdates
matplotlibto 3.10.8Release notes
Sourced from matplotlib's releases.
Commits
1392cbeREL: v3.10.80b9ebb3Doc release prep v3.10.8bc7b5c4Merge branch 'v3.10.7-doc' into v3.10.x86b38d3Github stats v3.10.89512188Merge pull request #30717 from meeseeksmachine/auto-backport-of-pr-30714-on-v...d300769Backport PR #30714: FIX: Gracefully handle numpy arrays as input to check_in_...799bc95Merge pull request #30711 from ngoldbaum/v3.10.x134000bMerge pull request #30697 from ngoldbaum/fix-plotting-on-worker-threads5b8e219TST: Run macosx backends in a subprocess878e71aBackport PR #29810: Declare free-threaded support in MacOS backend extension ...Updates
pillowto 12.2.0Release notes
Sourced from pillow's releases.