Ubuntu机器安装rdkit指定版本，通过conda安装不需要make，有手就行。

阿里云购买Ubuntu 22.0机器

IP没错，访问外网没问题

图片中的命令放在下面了。

useradd test-user -s /bin/bash
mkdir /home/test-user
chown -R test-user: /home/test-user
passwd test-user

vi /etc/sudoers   




wget -c 'https://repo.anaconda.com/archive/Anaconda3-2023.09-0-Linux-x86_64.sh'
sudo ln -s /home/test-user/anaconda3/bin/conda /bin/conda    
conda config --set auto_activate_base false
conda create -n rdkit-env python=3.11.9
source anaconda3/bin/activate rdkit-env
conda search rdkit   
vi ~/.condarc

#######################################################################################
channels:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/pytorch/    
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main/        
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/msys2/      
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge 
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/        
  - defaults
show_channel_urls: true
default_channels:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/r
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/msys2        
custom_channels:
  conda-forge: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud  
  msys2: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud        
  bioconda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud     
  menpo: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud        
  pytorch: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud      
  pytorch-lts: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud  
  simpleitk: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud    
  deepmodeling: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/


#######################################################################################


conda install -c conda-forge rdkit=2020.9.1
conda remove python
conda install python=3.7.6
conda install -c conda-forge rdkit=2020.9.1

python
import rdkit
from rdkit import Chem
print(rdkit.__version__)

创建普通用户用作安装rdkit