安装
以天河2号上安装为例:
(base) [test@ln0%tianhe2 ~]$ conda create -n py36 python=3.6
# 安装好环境后,激活该环境,并安装pymatgen 和 matminer
(base) [test@ln0%tianhe2 ~]$ conda activate py36
(py36) [test@ln0%tianhe2 ~]$ conda install -c conda-forge pymatgen
(py36) [test@ln0%tianhe2 ~]$ pip install matminer
测试:
(py36) [test@ln0%tianhe2 ~]$ python
Python 3.6.12 |Anaconda, Inc.| (default, Sep 8 2020, 23:10:56)
[GCC 7.3.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import pymatgen
>>> import matminer
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