It works fine on Linux if you have Swig 4.0. Just doesn't work on Windows. On Tue, 26 May 2020 at 13:10, Hongyi Zhao <hongyi.z...@gmail.com> wrote:
> Noel O'Boyle <baoille...@gmail.com> 于2020年5月26日周二 下午7:55写道： > > > > Those listed at https://pypi.org/project/openbabel/3.1.1/. > Unfortunately, we were not able to support Py 3.8 as the latest version of > Swig (which is required for Py 3.8) did not work for us. > > I successfully compiled openbabel git master version with a Py 3.8.3 > based virtualenv on Ubuntu 20.04. > > Regards, > HY > > > > > On Tue, 26 May 2020 at 11:45, MD Simulation <mdsimulationgr...@gmail.com> > wrote: > >> > >> What Python version is supported? > >> > >> Thanks! > >> > >> On Tue, May 26, 2020, 3:39 AM Noel O'Boyle <baoille...@gmail.com> > wrote: > >>> > >>> 3.8 is not supported on Windows. > >>> > >>> On Mon, 25 May 2020, 19:54 MD Simulation, <mdsimulationgr...@gmail.com> > wrote: > >>>> > >>>> Hello, > >>>> > >>>> I followed the instructions to install Openbabel using pip from: > >>>> > >>>> > https://open-babel.readthedocs.io/en/latest/UseTheLibrary/PythonInstall.html#windows > >>>> > >>>> I'm using Python 3.8 and have installed the most recent Openbabl but > when I tried to use pip, the installation of the python bindings failed > (failure at bottom). > >>>> > >>>> Any ideas? > >>>> > >>>> Thanks, > >>>> Stacey > >>>> > >>>> Collecting openbabel > >>>> Using cached openbabel-3.1.1.1.tar.gz (82 kB) > >>>> Using legacy setup.py install for openbabel, since package 'wheel' is > not installed. > >>>> Installing collected packages: openbabel > >>>> Running setup.py install for openbabel ... error > >>>> ERROR: Command errored out with exit status 1: > >>>> command: > 'c:\users\im2405\appdata\local\programs\python\python38-32\python.exe' -u > -c 'import sys, setuptools, tokenize; sys.argv[0] = > '"'"'C:\\Users\\im2405\\AppData\\Local\\Temp\\pip-install-zbgb0ke4\\openbabel\\setup.py'"'"'; > __file__='"'"'C:\\Users\\im2405\\AppData\\Local\\Temp\\pip-install-zbgb0ke4\\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\im2405\AppData\Local\Temp\pip-record-1c4w3a0b\install-record.txt' > --single-version-externally-managed --compile --install-headers > 'c:\users\im2405\appdata\local\programs\python\python38-32\Include\openbabel' > >>>> cwd: > C:\Users\im2405\AppData\Local\Temp\pip-install-zbgb0ke4\openbabel\ > >>>> Complete output (14 lines): > >>>> running install > >>>> running build_ext > >>>> Warning: invalid version number '3.1.1.1'. > >>>> Guessing Open Babel location: > >>>> - include_dirs: > ['c:\\users\\im2405\\appdata\\local\\programs\\python\\python38-32\\include', > 'c:\\users\\im2405\\appdata\\local\\programs\\python\\python38-32\\include', > '/usr/local/include/openbabel3'] > >>>> - library_dirs: > ['c:\\users\\im2405\\appdata\\local\\programs\\python\\python38-32\\libs', > 'c:\\users\\im2405\\appdata\\local\\programs\\python\\python38-32\\PCbuild\\win32', > '/usr/local/lib'] > >>>> building 'openbabel._openbabel' extension > >>>> swigging openbabel\openbabel-python.i to > openbabel\openbabel-python_wrap.cpp > >>>> swig.exe -python -c++ -small -O -templatereduce -naturalvar > -Ic:\users\im2405\appdata\local\programs\python\python38-32\include > -Ic:\users\im2405\appdata\local\programs\python\python38-32\include > -I/usr/local/include/openbabel3 -o openbabel\openbabel-python_wrap.cpp > openbabel\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/openbabel3 > -L/usr/local/lib > >>>> python setup.py install > >>>> ---------------------------------------- > >>>> ERROR: Command errored out with exit status 1: > 'c:\users\im2405\appdata\local\programs\python\python38-32\python.exe' -u > -c 'import sys, setuptools, tokenize; sys.argv[0] = > '"'"'C:\\Users\\im2405\\AppData\\Local\\Temp\\pip-install-zbgb0ke4\\openbabel\\setup.py'"'"'; > __file__='"'"'C:\\Users\\im2405\\AppData\\Local\\Temp\\pip-install-zbgb0ke4\\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\im2405\AppData\Local\Temp\pip-record-1c4w3a0b\install-record.txt' > --single-version-externally-managed --compile --install-headers > 'c:\users\im2405\appdata\local\programs\python\python38-32\Include\openbabel' > Check the logs for full command output. > >>>> _______________________________________________ > >>>> OpenBabel-discuss mailing list > >>>> OpenBabel-discuss@lists.sourceforge.net > >>>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > > > _______________________________________________ > > OpenBabel-discuss mailing list > > OpenBabel-discuss@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > > > -- > Hongyi Zhao <hongyi.z...@gmail.com> >
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