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kcl-tscm / mff

A Python package for building nonparametric force fields from machine learning
Apache License 2.0
16 stars 2 forks source link

Asap3 version 3.11.10 cannot be installed on certain on MacOS #4

Closed ClaudioZeni closed 4 years ago

ClaudioZeni commented 4 years ago

Asap3 version 3.11.10 is required for the MFF package, and some on some Mac machines the installation of ASAP3 3.11.10 fails.

When installed through conda, ASAP3 3.10.10 is installed, which causes issues in the configurationsand calculator modules.

fekad commented 4 years ago

You could try to update the asap3 via pip install inside the conda environment: conda activate mff-env and pip install asap3 --force