Bump pymatgen from 2025.10.7 to 2026.3.23

[dependabot]

Bumps pymatgen from 2025.10.7 to 2026.3.23.

Release notes

Sourced from pymatgen's releases.

v2026.3.23

• PR #4595 Major reorganization of pymatgen repo. Now core functionality is in a separate pymatgen-core repo and released as a separate pypi package. All changes should be backwards compatible, i.e., pip install pymatgen still provides all the same functionality as before. (by @​shyuep)
• PR #4592 Rewrite LOBSTER parsers with memory-efficient streaming architecture (by @​tomdemeyere)
• PR #4589 Pass process_entries arguments to solid_compat in MaterialsProjectAqueousCompatibility (by @​lkkmpn)
• PR #4584 Fix unstable sorting in phase diagram (by @​DanielYang59)
• PR #4581 Add yaml for smoothPES correction (by @​CompRhys)
• PR #4579 Allow for alchemical pseudoatoms in Abinit (by @​GkAntonius)
• PR #4567 Symmetry no longer necessary to have first in geometry directive for NwChem (by @​francescalb)
• PR #4565 Remove jupyter from dev dependency group (by @​DanielYang59)
• PR #4555 Update MatPESStaticSet docstring: PBE_54 to PBE_64 (by @​ThomasWarford)
• PR #4546 Speed/stability improvements to chemenv/coordination_environments (by @​lutfia95)
• PR #4545 Chargemol fixes for VASP POTCAR 64 (by @​esoteric-ephemera)
• PR #4542 Fix types for entry processing in phase diagram and compatibility (by @​janosh)
• PR #4541 PatchedPhaseDiagram mimic PhaseDiagram Serialization (by @​CompRhys)
• PR #4535 Minor fixes to typing for io.vasp.outputs.Wavecar and io.wannier90.Unk (by @​mturiansky)
• PR #4531 Deprecate CifParser init support of filename as StringIO (by @​DanielYang59)
• PR #4530 Fix icet kwargs (by @​esoteric-ephemera)
• PR #4527 Replace assert with proper exceptions (by @​DanielYang59)
• PR #4526 VolumetricData.copy preserve subclass type (by @​DanielYang59)
• PR #4525 Minor type cleanup of io.common (by @​DanielYang59)
• PR #4522 Incar.proc_val reuse incar_parameters.json to determine types (by @​DanielYang59)
• PR #4521 Add ISEARCH parameter to incar_parameters.json (by @​kavanase)
• PR #4520 Avoid dict mutation in VaspInputSet.structure setter (by @​janosh)
• PR #4518 Enhance INCAR parsing: handle multi-line string and line continuation with backslash, fix handling of ! as comment marker (by @​DanielYang59)
• PR #4516 Python 3.14 support (by @​DanielYang59)
• PR #4515 Update periodic table data: common oxidation states, critical temperature and electrical resistivity (by @​DanielYang59)
• PR #4514 Fix Ion.as_reduced_dict doesn't reduce charge (by @​DanielYang59)
• PR #4511 Fix PD Plotter to only show lowest energy for unstable composition (by @​DanielYang59)
• PR #4507 Add references/source to periodic table data (by @​DanielYang59)
• PR #4498 Allow for setting termination_ftol for film and substrate slabs separately (by @​jinlhr542)
• PR #4482 Simplify and clean up LobsterNeighbors (by @​naik-aakash)
• PR #4481 Fix icohpcollection & add missing keyword in Lobsterin (by @​naik-aakash)
• PR #4414 Phase Diagram Serialization Improvement (by @​felix-adams)
• PR #4148 Fix consideration of translation symmetry for some (extremely rare) edge cases in LobsterEnv (by @​JaGeo)

Changelog

Sourced from pymatgen's changelog.

v2026.3.23

• PR #4595 Major reorganization of pymatgen repo. Now core functionality is in a separate pymatgen-core repo and released as a separate pypi package. All changes should be backwards compatible, i.e., pip install pymatgen still provides all the same functionality as before. (by @​shyuep)
• PR #4592 Rewrite LOBSTER parsers with memory-efficient streaming architecture (by @​tomdemeyere)
• PR #4589 Pass process_entries arguments to solid_compat in MaterialsProjectAqueousCompatibility (by @​lkkmpn)
• PR #4584 Fix unstable sorting in phase diagram (by @​DanielYang59)
• PR #4581 Add yaml for smoothPES correction (by @​CompRhys)
• PR #4579 Allow for alchemical pseudoatoms in Abinit (by @​GkAntonius)
• PR #4567 Symmetry no longer necessary to have first in geometry directive for NwChem (by @​francescalb)
• PR #4565 Remove jupyter from dev dependency group (by @​DanielYang59)
• PR #4555 Update MatPESStaticSet docstring: PBE_54 to PBE_64 (by @​ThomasWarford)
• PR #4546 Speed/stability improvements to chemenv/coordination_environments (by @​lutfia95)
• PR #4545 Chargemol fixes for VASP POTCAR 64 (by @​esoteric-ephemera)
• PR #4542 Fix types for entry processing in phase diagram and compatibility (by @​janosh)
• PR #4541 PatchedPhaseDiagram mimic PhaseDiagram Serialization (by @​CompRhys)
• PR #4535 Minor fixes to typing for io.vasp.outputs.Wavecar and io.wannier90.Unk (by @​mturiansky)
• PR #4531 Deprecate CifParser init support of filename as StringIO (by @​DanielYang59)
• PR #4530 Fix icet kwargs (by @​esoteric-ephemera)
• PR #4527 Replace assert with proper exceptions (by @​DanielYang59)
• PR #4526 VolumetricData.copy preserve subclass type (by @​DanielYang59)
• PR #4525 Minor type cleanup of io.common (by @​DanielYang59)
• PR #4522 Incar.proc_val reuse incar_parameters.json to determine types (by @​DanielYang59)
• PR #4521 Add ISEARCH parameter to incar_parameters.json (by @​kavanase)
• PR #4520 Avoid dict mutation in VaspInputSet.structure setter (by @​janosh)
• PR #4518 Enhance INCAR parsing: handle multi-line string and line continuation with backslash, fix handling of ! as comment marker (by @​DanielYang59)
• PR #4516 Python 3.14 support (by @​DanielYang59)
• PR #4515 Update periodic table data: common oxidation states, critical temperature and electrical resistivity (by @​DanielYang59)
• PR #4514 Fix Ion.as_reduced_dict doesn't reduce charge (by @​DanielYang59)
• PR #4511 Fix PD Plotter to only show lowest energy for unstable composition (by @​DanielYang59)
• PR #4507 Add references/source to periodic table data (by @​DanielYang59)
• PR #4498 Allow for setting termination_ftol for film and substrate slabs separately (by @​jinlhr542)
• PR #4482 Simplify and clean up LobsterNeighbors (by @​naik-aakash)
• PR #4481 Fix icohpcollection & add missing keyword in Lobsterin (by @​naik-aakash)
• PR #4414 Phase Diagram Serialization Improvement (by @​felix-adams)
• PR #4148 Fix consideration of translation symmetry for some (extremely rare) edge cases in LobsterEnv (by @​JaGeo)

Commits

• 5bbc4d3 Update docs
• 4d7c1e5 Updated change log.
• 9d1de13 Merge branch 'master' of github.com:materialsproject/pymatgen
• efcd127 Update al github actions.
• 05e5b5e PatchedPhaseDiagram mimic PhaseDiagram Serialization (#4541)
• c58dfe4 Fix consideration of translation symmetry for some (extremely rare) edge case...
• a8f41c2 Update some information.
• aeac9ea Remove .gitmodules.
• 1bca7d8 Fix imports.
• 1c7086f Refactoring move of compatibility into analysis.
• Additional commits viewable in compare view

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