Update rdkit requirement from <2026,>=2025.9.1 to >=2025.9.1,<2027

[dependabot]

Updates the requirements on rdkit to permit the latest version.

Changelog

Sourced from rdkit's changelog.

Release_2026.09.1

(Changes relative to Release_2026.03.1)

Acknowledgements

(Note: I'm no longer attempting to manually curate names. If you would like to see your contribution acknowledged with your name, please set your name in GitHub)

Highlights

Backwards incompatible changes:

• Since #9208, atom rings are "normalized" so that the first atom in the ring definition is the one with the lowest index, and the second one is the neighbor to the first which also has the lowest index.
• MolTransforms.h now includes <Eigen/Core> instead of <Eigen/Dense>. C++ code that included MolTransforms.h and relied on it to transitively pull in the Eigen dense modules (LU/QR/SVD/etc.) must now include <Eigen/Dense> directly.
• PicklerOps::QueryDetails (in GraphMol/MolPickler.h) is now a std::variant instead of a boost::variant. C++ code that inspects this type must use std::get/std::holds_alternative and .index() in place of boost::get and .which(). MolPickler.h also no longer includes <boost/variant.hpp>.
• boost_adaptbx::python::streambuf (in RDBoost/python_streambuf.h) now uses std::optional instead of boost::optional, and the header no longer includes <boost/optional.hpp>.
• The DistGeomHelpers::EmbedParameters struct no longer has a constructor that takes arguments in C++. If you want to initialize data members to non-default values, use the designated initialization syntax. This change does not affect Python.
• MolToSmiles with canonical=false, ignoreAtomMapNumbers=true no longer strips out the atom map numbers.
• The default algorithm for symmetrizing the smallest set of smallest rings has been changed. The new algorithm, based on the RingDecomposerLib from the Rarey group, is faster in most cases and fixes some bugs in the legacy implementation. In a limited number of cases (large macrocycles containing multiple para-substituted rings) the new algorithm can take a long time to find the very large number of symmetric rings; the old algorithm was faster in these cases, but returned incorrect results. You can force use of the old algorithm by either setting the environment variable RDK_USE_LEGACY_RING_FINDING to 1 or by calling MolOps::setUseLegacyRingFinding(true) (Chem.SetUseLegacyRingFinding(True) from Python).

Code removed in this release:

• The version of hanoiSort() that takes raw pointers has been removed. Please use the version that takes std::span and std::vector.
• Chirality::StereoInfo::NOATOM (C++) and Chem.StereoInfo.NOATOM (Python) have been removed. Please use Atom::NOATOM and Chem.Atom.NOATOM.

Deprecated code (to be removed in a future release):

... (truncated)

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