AutoDock-Vina
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`!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend
The installation was attempted from Google Colaboratory, following a similar procedure to this.
!pip install vina
gives
Collecting vina
Downloading vina-1.2.5.tar.gz (89 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 89.5/89.5 kB 2.0 MB/s eta 0:00:00
Installing build dependencies ... done
Getting requirements to build wheel ... done
Preparing metadata (pyproject.toml) ... done
Collecting numpy>=1.18 (from vina)
Downloading numpy-2.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (60 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 60.9/60.9 kB 3.2 MB/s eta 0:00:00
Downloading numpy-2.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (19.3 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 19.3/19.3 MB 53.6 MB/s eta 0:00:00
Building wheels for collected packages: vina
error: subprocess-exited-with-error
× Building wheel for vina (pyproject.toml) 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.
Building wheel for vina (pyproject.toml) ... error
ERROR: Failed building wheel for vina
Failed to build vina
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects
The connected Python 3 Google Compute Engine backend is Linux.
On the other hand, conda install
worked ^^
!conda install vina
after installing condacolab
!pip install -q condacolab
import condacolab
condacolab.install()
Hope the information is helpful anyone who run Jupyter Notebook with Google Colab