Error Could not import PyQt5

[Deepak Lokwani]

Hello All,

              I have installed gmx_MMPBSA for my research work and working fine. But when i want to do analysis, I run command gmx_MMPSA_ana, the following error were found.

"ERROR:root:MMPBSA_Error Could not import PyQt5. gmx_MMPBSA_ana will be disabled until you install it."

But I already installed PyQt5 using command "python -m pip install PyQt5"


Please help me out to solve error


[Mario Sergio Valdes]

Hi and welcome!

Oh sorry, I reuse the previous mail -.-

This is resolved as described in the documentation (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/installation/#dependencies)

Basically, you have to run

amber.python -m pip install PyQt5

Make sure you are using the python in which you installed gmx_MMPBSA

You can check this issue if you have a problem (https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA/issues/62)

HTH!

Mario S.

[Deepak Lokwani]

Sir,
Sorry to trouble you.

But Command "gmx_MMPBSA work perfectly" but when I go gmx_MMPBSA_ana, it not work and same error arise "ERROR:root:MMPBSA_Error Could not import PyQt5. gmx_MMPBSA_ana will be disabled until you install it."

I have installed PyQt5 in AmberTools21 environment in conda

These are step I followed....
1. Conda create --name AmberTools21
2. conda activate AmberTools21
3. conda install -c conda-forge ambertools=21 compilers
4. sudo apt install openmpi-bin libopenmpi-dev openssh-client
5. python -m pip install PyQt5
6. python -m pip install gmx_MMPBSA

All steps are carried in AmberTools21 environment in conda

[Mario Sergio Valdes]

Please, check this issue (https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA/issues/62)

HTH!

Mario S.