updated cohesiveenergy #953
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Fix: Update Thermo Featurizers for Modern
mp-apiClientDescription
This PR resolves a series of
AttributeErrorexceptions that occur when using theCohesiveEnergyandCohesiveEnergyMPfeaturizers with modern versions ofpymatgenandmp-api. The errors are caused bymatminercalling deprecated and removed functions from the old Materials Project API client.This fix updates the featurizers to use the new, official
mp-apiclient, restoring their functionality.Changes Made
matminer/featurizers/composition/thermo.pyfrom pymatgen.ext.matproj import MPResterwith the correctfrom mp_api.client import MPRester.CohesiveEnergy.featurizeto usempr.thermo.search()to correctly fetch formation energies.CohesiveEnergyMP.featurizeto use the modern two-step workflow: first finding thematerial_idwithmpr.materials.search()and then retrieving the pre-calculated value withmpr.get_cohesive_energy().pyproject.tomlmp-apias a core dependency, as it is now required for these featurizers to function.