conda install -c pyscf pyscf
install pyscf from conda cloud
但是出错
PackagesNotFoundError: The following packages are not available from current channels:
- pyscf
conda config --append channels conda-forge
添加新的channels但是没用
还是报错
conda安装环境报错:Solving environment: failed with initial frozen solve.
【非常重要】国内镜像源或官方自带的源未必包含所有的库,玩python有些库还必须使用pip命令从https://pypi.org/ 获取
pip install pyscf
也出错 - 解决方案
通过windows的linux子系统ubuntu安装pyscf