项目场景:
PLIP以及openbabel的安装:`
安装PLIP踩过的坑
有一台ubuntu服务器,安装PLIP直接使用pip install plip就成功了,另外台服务器使用opensuse 15.4系统,结果各种bug,最终花了一下午时间,在两台服务器上面分别正确安装了PLIP,特此纪念一下。
问题描述
pip无法正确安装PLIP:
直接使用pip install plip适用可以在部分机器上,但是有的机器并不适用。
比如我的机器是opensuse15.4, 无法直接使用pip安装PLIP。报错如下:
Collecting plip
Using cached plip-2.3.0-py3-none-any.whl (94 kB)
Collecting openbabel (from plip)
Using cached openbabel-3.1.1.1.tar.gz (82 kB)
Preparing metadata (setup.py) ... done
Requirement already satisfied: numpy in ./anaconda3/envs/openff-toolkit/lib/python3.11/site-packages (from plip) (1.25.0)
Collecting lxml (from plip)
Downloading lxml-5.1.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (8.1 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 8.1/8.1 MB 5.8 MB/s eta 0:00:00
Building wheels for collected packages: openbabel
Building wheel for openbabel (setup.py) ... error
error: subprocess-exited-with-error
× python setup.py bdist_wheel did not run successfully.
│ exit code: 1
╰─> [66 lines of output]
running bdist_wheel
running build
running build_ext
Warning: invalid version number '3.1.1.1'.
Guessing Open Babel location:
- include_dirs: ['/home/shiyu/anaconda3/envs/openff-toolkit/include/python3.11', '/usr/local/include/openbabel3']
- library_dirs: [