updated cohesiveenergy

[nicktbrr]

Fix: Update Thermo Featurizers for Modern mp-api Client

Description

This PR resolves a series of AttributeError exceptions that occur when using the CohesiveEnergy and CohesiveEnergyMP featurizers with modern versions of pymatgen and mp-api. The errors are caused by matminer calling deprecated and removed functions from the old Materials Project API client.

This fix updates the featurizers to use the new, official mp-api client, restoring their functionality.

Changes Made

• matminer/featurizers/composition/thermo.py

  • Replaced the legacy from pymatgen.ext.matproj import MPRester with the correct from mp_api.client import MPRester.
  • Rewrote CohesiveEnergy.featurize to use mpr.thermo.search() to correctly fetch formation energies.
  • Rewrote CohesiveEnergyMP.featurize to use the modern two-step workflow: first finding the material_id with mpr.materials.search() and then retrieving the pre-calculated value with mpr.get_cohesive_energy().

• pyproject.toml

  • Added mp-api as a core dependency, as it is now required for these featurizers to function.