Dear, I am trying to install Psi4 using conda as: conda install gdma -c psi4 -d --ENABLE_gdma In the manual, you mention that an error is expected without enabling GDMA so I get: ===== Traceback (most recent call last): File “/usr/bin/psi4”, line 248, in exec(content) File “”, line 32, in …

I think psi4 installed with ubuntu or debian repository didn’t be enabled gdma feature, so how about install psi4 with “conda install psi4 psi4-rt -c psi4”?

Ok, we need to get clear how you’re acquiring Psi4 because the command you posted is mixing conda and cmake arguments. Would you be happy with a completely conda installation? conda install psi4 -c psi4 comes with gdma already installed and compiled in. psi4 --test should show “PASSED” for the gdm…

Psi4 – Open-Source Quantum Chemistry

Installation + enable gdma

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