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Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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pip fails to install "requests" package #202

Closed sobolevnrm closed 3 years ago

sobolevnrm commented 3 years ago

Running from a clean conda environment:

pip install pdb2pqr

fails to install the requests package which becomes apparent when running pdb2pqr.

intendo commented 3 years ago

@sobolevnrm did this get fixed in version 3.2.0? I cannot reproduce this error. I ran pip uninstall requests (which was not installed) and then pip install pdb2pqr and got the output below showing that requests did get installed:

Collecting pdb2pqr
  Downloading pdb2pqr-3.2.0-py2.py3-none-any.whl (207 kB)
     |████████████████████████████████| 207 kB 6.0 MB/s 
Requirement already satisfied: mmcif-pdbx>=1.1.2 in /data/home/ubuntu/.local/lib/python3.8/site-packages (from pdb2pqr) (2.0.1)
Requirement already satisfied: numpy in /data/home/ubuntu/.local/lib/python3.8/site-packages (from pdb2pqr) (1.21.1)
Collecting propka>=3.2
  Downloading propka-3.4.0-py2.py3-none-any.whl (98 kB)
     |████████████████████████████████| 98 kB 12.1 MB/s 
Requirement already satisfied: requests in /data/home/ubuntu/anaconda3/lib/python3.8/site-packages (from pdb2pqr) (2.25.1)
Requirement already satisfied: urllib3<1.27,>=1.21.1 in /data/home/ubuntu/anaconda3/lib/python3.8/site-packages (from requests->pdb2pqr) (1.26.4)
Requirement already satisfied: certifi>=2017.4.17 in /data/home/ubuntu/anaconda3/lib/python3.8/site-packages (from requests->pdb2pqr) (2020.12.5)
Requirement already satisfied: idna<3,>=2.5 in /data/home/ubuntu/anaconda3/lib/python3.8/site-packages (from requests->pdb2pqr) (2.10)
Requirement already satisfied: chardet<5,>=3.0.2 in /data/home/ubuntu/anaconda3/lib/python3.8/site-packages (from requests->pdb2pqr) (4.0.0)
Installing collected packages: propka, pdb2pqr
Successfully installed pdb2pqr-3.2.0 propka-3.4.0
Eo300 commented 3 years ago

Looks to be the case.. Found the declaration within the setup.py: https://github.com/Electrostatics/pdb2pqr/blob/v3.2.0/setup.py#L59

intendo commented 3 years ago

I think we can close this now and reopen it if someone finds it is still a problem.