ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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Error during pip installation #194

Closed ValeryPolyakov closed 1 year ago

ValeryPolyakov commented 1 year ago

This happens on both Windows and Linux:

Collecting vina Using cached vina-1.2.3.tar.gz (95 kB) Installing build dependencies ... done Getting requirements to build wheel ... error error: subprocess-exited-with-error

× Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> [3 lines of output] fatal: not a git repository (or any of the parent directories): .git Version found 1.2.3 (from init.py) error in vina setup command: 'python_requires' must be a string containing valid version specifiers; Invalid specifier: '>=3.5.*' [end of output]

note: This error originates from a subprocess, and is likely not a problem with pip. error: subprocess-exited-with-error

× Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> See above for output.

note: This error originates from a subprocess, and is likely not a problem with pip.

Kresten1 commented 1 year ago

To fix the issue download vina.1.2.3.tar.gz from pypi.org. Then run "tar -xf vina-1.2.3.tar.gz" in the directory with the file. A folder named "vina-1.2.3" should appear. Edit the setup.py file by removing the .* in line 361. Then change directory into the vina folder and run "python setup.py install"

Hope that helps

ghost commented 1 year ago

tengo el mismo error

ghost commented 1 year ago

Para solucionar el problema, descargue vina.1.2.3.tar.gz desde pypi.org. Luego ejecute "tar -xf vina-1.2.3.tar.gz" en el directorio con el archivo. Debería aparecer una carpeta llamada "vina-1.2.3". Edite el archivo setup.py eliminando .* en la línea 361. Luego cambie el directorio a la carpeta vina y ejecute "python setup.py install"

Espero que ayude

podrias esplicarme que es exactamente lo que debo editar?

Kresten1 commented 1 year ago

In the Vina-1.2.3 folder, a file named "Setup.py" should be present. Open that file with a code editor, such as Notepad or the likes. Go down to line 361, is should say something like" python=<3.5. " delete the . And save the file. Then run the setup.py file trough the terminal

tonyliang19 commented 1 year ago

Para solucionar el problema, descargue vina.1.2.3.tar.gz desde pypi.org. Luego ejecute "tar -xf vina-1.2.3.tar.gz" en el directorio con el archivo. Debería aparecer una carpeta llamada "vina-1.2.3". Edite el archivo setup.py eliminando .* en la línea 361. Luego cambie el directorio a la carpeta vina y ejecute "python setup.py install" Espero que ayude

podrias esplicarme que es exactamente lo que debo editar?

Lo que se está haciendo es remover el punto asterico o .* de la linea 361 del vina-1.2.3/setup.py.

tonyliang19 commented 1 year ago

To fix the issue download vina.1.2.3.tar.gz from pypi.org. Then run "tar -xf vina-1.2.3.tar.gz" in the directory with the file. A folder named "vina-1.2.3" should appear. Edit the setup.py file by removing the .* in line 361. Then change directory into the vina folder and run "python setup.py install"

Hope that helps

That did not work for me in python3.11, what version worked for you? I looked at setup.py, and only saw Python 3.5 - Python 3.9?

tonyliang19 commented 1 year ago

OS: Linux Ubuntu 22.04.2

With python==3.9.7, pip install vina worked for me. If you are using conda, you could create it by the following:

conda create -y -n vina python=3.9.7
conda install -y -c conda-forge numpy swig boost-cpp sphinx sphinx_rtd_theme
pip install vina
diogomart commented 1 year ago

Fixed in #167