1.我直接用的anaconda prompt 安装:
conda install -c conda-forge aflow
打开jupyter,测试安装成功代码:
from aflow import * result = search(batch_size=20).select(K.agl_thermal_conductivity_300K).filter(K.Egap > 6).orderby(K.agl_thermal_conductivity_300K, True) for entry in result: print(entry.Egap)
2.如果上述安装失败,可以用pip安装:
pip install aflow
安装时可能出现的问题:
RemoveError: ‘requests’ is a dependency of conda and cannot be removed from conda’s operating environment.
(1)可以更新一下conda试试,conda update conda,强制更新为conda update --force conda;
(2)如果requests用pip安装的,aflow你也得用pip安装。