|
安装的时候我也遇到了同样的问题,楼主的问题(USPEX -h无回应)似乎通过source ~/.bashrc就可以解决,但是我搜结构的时候会报错。 |
logzzz 发表于 2024-4-7 12:35 收到,谢谢老师指导,我再看下 |
jingetiema6112 发表于 2024-4-7 11:06 看USPEX的README,里面写的很清楚了。需要设置环境变量。 *** For updating USPEX using "USPEX -u", "requests" and "zipfile" libraries must be installed for python3. **************************************************** *** (1) INSTALLATION *** **************************************************** * For Installation of USPEX + MCR(R2016b) you need to run install.sh and follow the instruction. ./install.sh * If you want to install the codes in the root partition then you need to run install.sh as follow: sudo ./install.sh * It is essential to run the following command to avoid encountering errors when running USPEX examples and make working with USPEX more pleasant. chmod +rw -R /installation path of USPEX/application/archive/ **************************************************** *** (2) Setup the environment variables *** **************************************************** * If you choose graphical installation, you must setup environmental variables manually (in terminal installation, the environmental variables would be added automatically). Setup the environment variables for MATLAB runtime and USPEX by adding the following path to the bashrc file. For Bash shell system, add these lines in ~/.bashrc or ~/.profile or /etc/profile: export MCRROOT=/installation PATH of MCR/ export PATH=/installation PATH of USPEX/application/archive/:$PATH export USPEXPATH=/installation PATH of USPEX/application/archive/src For C shell system, add these lines in ~/.cshrc or ~/.profile or /etc/profile: setenv MCRROOT "/installation PATH of MCR/" setenv PATH "/installation PATH of USPEX/application/archive/:$PATH" setenv USPEXPATH "/installation PATH of USPEX/application/archive/src" 按着说明一步步来,另外,我给calypso打广告。这个更易上手和使用。我个人见解。 |
logzzz 发表于 2024-4-7 10:14 谢谢老师解答,我就是按照教程安装了linux虚拟机,然后现在这个软件,按照教程一步步走下来的,就是这个结果。初步学习这东西,折腾好几天了...... |
环境变量有改么?另外,我还好像记得USPEX要求python3.9的环境。 |
手机版 Mobile version|北京科音自然科学研究中心 Beijing Kein Research Center for Natural Sciences|京公网安备 11010502035419号|计算化学公社 — 北京科音旗下高水平计算化学交流论坛 ( 京ICP备14038949号-1 )|网站地图
GMT+8, 2024-11-24 23:04 , Processed in 0.169617 second(s), 26 queries , Gzip On.