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> _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
