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@robertodr
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fpietra
fpietra previously approved these changes Apr 3, 2025
@woodsp-ibm
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Given Nature is now failing after the release of Qiskit 2.0, since its now installing that, maybe like has been done in algorithms and ML the qiskit version should be pinned in the requirements.txt to add <2.0 until such time as it can be supported. Maybe add that to this PR so it all passes again.

@robertodr
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I've no idea what the problem might be with Psi4 not being able to find libecpint. I can see it is installed in the CI environment.

@ftroisi
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ftroisi commented Apr 4, 2025

@robertodr you can try to modify the file .github/actions/install-psi4/action.yml as follows (it has worked for me in the past):

 - run : |
        source "$CONDA/etc/profile.d/conda.sh"
        conda activate psi4env
        py_requires_libecpint=("3.9" "3.10")
        if [[ "${{ inputs.os }}" == "ubuntu-latest" && " ${py_requires_libecpint[@]} " =~ "${{ inputs.python-version }}" ]]; then
          echo "installs libecpint"
          conda install -c conda-forge libecpint
        fi
        echo "installs psi4 stable release"
        conda install -y psi4 python=${{ inputs.python-version }} -c conda-forge/label/libint_dev -c conda-forge
      shell: bash

It's a quite random bug though

@robertodr
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@ftroisi unfortunately now there's 2 CI lanes failing 😢

@woodsp-ibm
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It seems PSI$ is failing in the very same Python versions where it manually installs libecpint now. Could there be some compatibility issue between whatever version is being installed and that which the PSI4 latest install needs.

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5 participants