Question

我正在使用Python制作一个脚本来处理我博士的一些化学结构。我想为python安装openbabel库。我尽我所能，但我无法安装它。它总是给出错误： Error: SWIG failed. Is Open Babel installed? 这是我PC上的Python路径：C:\Users\malih\AppData\Local\Programs\Python\Python36-32。 Openbabel安装在以下路径C:\Program Files (x86)\OpenBabel-2.3.1。

当我运行python -m pip install openbabel时，它会出现以下错误：

C:\Users\malih>python -m pip install openbabel
Collecting openbabel
Using cached openbabel-2.4.1.tar.gz
Installing collected packages: openbabel
Running setup.py install for openbabel ... error
Complete output from command C:\Users\malih\AppData\Local\Programs\Python\Python36-32\python.exe -u -c "import setuptools, tokenize;__file__='C:\\Users\\malih\\AppData\\Local\\Temp\\pip-build-glr82a7x\\openbabel\\setup.py';f=getattr(tokenize, 'open', open)(__file__);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, __file__, 'exec'))" install --record C:\Users\malih\AppData\Local\Temp\pip-02z3p_a9-record\install-record.txt --single-version-externally-managed --compile:
running install
running build_ext
Warning: pkg-config could not be found.
Guessing Open Babel location:
- include_dirs: ['C:\\Users\\malih\\AppData\\Local\\Programs\\Python\\Python36-32\\include', 'C:\\Users\\malih\\AppData\\Local\\Programs\\Python\\Python36-32\\include', '/usr/local/include/openbabel-2.0']
- library_dirs: ['C:\\Users\\malih\\AppData\\Local\\Programs\\Python\\Python36-32\\libs', 'C:\\Users\\malih\\AppData\\Local\\Programs\\Python\\Python36-32\\PCbuild\\win32', '/usr/local/lib']
building '_openbabel' extension
swigging openbabel-python.i to openbabel-python_wrap.cpp
swig.exe -python -c++ -small -O -templatereduce -naturalvar -IC:\Users\malih\AppData\Local\Programs\Python\Python36-32\include -IC:\Users\malih\AppData\Local\Programs\Python\Python36-32\include -I/usr/local/include/openbabel-2.0 -o openbabel-python_wrap.cpp openbabel-python.i

Error: SWIG failed. Is Open Babel installed?
You may need to manually specify the location of Open Babel include and library directories. For example:
  python setup.py build_ext -I/usr/local/include/openbabel-2.0 -L/usr/local/lib
  python setup.py install

----------------------------------------
Command "C:\Users\malih\AppData\Local\Programs\Python\Python36-32\python.exe -u -c "import setuptools, tokenize;__file__='C:\\Users\\malih\\AppData\\Local\\Temp\\pip-build-glr82a7x\\openbabel\\setup.py';f=getattr(tokenize, 'open', open)(__file__);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, __file__, 'exec'))" install --record C:\Users\malih\AppData\Local\Temp\pip-02z3p_a9-record\install-record.txt --single-version-externally-managed --compile" failed with error code 1 in C:\Users\malih\AppData\Local\Temp\pip-build-glr82a7x\openbabel\

我尝试按照此页面上的说明操作，但它们纯粹是针对Linux的，我无法跟进它们的Windows： How do I use python-openbabel in Travis CI?

我还尝试从以下指南安装pkg-config，但即便如此，它也会出现同样的错误： How to install pkg config in windows?

请帮我解决这个问题，因为我的工作是以此为基础的，我现在陷入困境。提前感谢您的时间。

Answer 1

众所周知，{p> pip install不友好。要么去openbabel网站并下载+安装windows二进制文件，然后下载+安装python绑定，或者使用unoffical official openbabel python windows build，然后使用cd进入下载的目录，并执行pip install OPENBABEL_FILE_WINDOWS.whl

我最近在2D mol文件上做了一些相当多的工作 - ＆gt;使用openbabel的3D mol文件翻译。让我知道它是如何为你工作的。

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编辑：我还应该补充一点，python3.x与python2.x完全不同。因此，如果有任何问题，请尝试使用python2.x

如何在Windows 10中安装openbabel for Python 3.6？

1 个答案: