ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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Issue with pip install #185

Closed rdeykin closed 1 year ago

rdeykin commented 1 year ago

I am trying to install vina using a conda environment. However, when I call

pip install vina

I get this output:

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 ╰─> [4 lines of output] fatal: Not a git repository (or any parent up to mount point /local) Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set). 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.

I am not sure what the issue could be. Any help would be greatly appreciated!

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