Problem during installation

65 views
Skip to first unread message

shanza munir

unread,
Jul 20, 2023, 11:18:15 AM7/20/23
to gmx_MMPBSA
Hello everyone, if faced problem during the installation process of MMPBSA. 
when i run the following command: python -m pip install git+https://github.com/Valdes-Tresanco-MS/ParmEd.git@v3.4
i get the error in the start and end of this run: 
Resolved https://github.com/Valdes-Tresanco-MS/ParmEd.git to commit 41cc9ab1fe930f0c13c36433148d4601307d60c3
  Preparing metadata (setup.py) ... done
Building wheels for collected packages: ParmEd
  Building wheel for ParmEd (setup.py) ... error
  error: subprocess-exited-with-error

  × python setup.py bdist_wheel did not run successfully.
  │ exit code: 1
  ╰─> [167 lines of output]


and then at the end 
 80 |   using ::timespec_get;
            |           ^~~~~~~~~~~~
      error: command '/home/shanzamunir/miniconda3/envs/gmxMMPBSA/bin/x86_64-conda-linux-gnu-cc' failed with exit code 1
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
  ERROR: Failed building wheel for ParmEd
  Running setup.py clean for ParmEd
Failed to build ParmEd
ERROR: Could not build wheels for ParmEd, which is required to install pyproject.toml-based projects


Mario Sergio Valdes

unread,
Jul 24, 2023, 4:04:11 PM7/24/23
to gmx_MMPBSA
This problem is related to the compilers package version. There are several discussions about it. Please check them and if they don't solve your problem, don't hesitate to come back to help you.
Reply all
Reply to author
Forward
0 new messages