Troubleshooting

Licensing

InQuanto uses the Python keyring module to access the system keyring for storage and use of the license. The keyring module requires a valid backend. If using InQuanto on a managed platform, such as a high performance computing (HPC) service, keyring and its backends may be managed or password protected. We recommend checking with your system administrator about how best to store your InQuanto credentials.

No ‘keyring’ backend was found

Some Unix distributions do not have a default keyring backend. The keyring package InQuanto uses to interact with the system keyring has a list of alternative available backends that can be installed. We recommend installing keyrings.alt with:

pip install keyrings.alt

After installing the backend, follow the installation steps again to correctly store the InQuanto license.

Errors associated with license activation or use

Please contact InQuanto support, providing any traceback and the machine ID.

A more extensive traceback can be obtained using:

python -c "from inquanto import activate_inquanto_license; activate_inquanto_license(verbose=True)"

The machine ID can be obtained with:

python -c "from inquanto import get_machine_id; get_machine_id()"

inquanto-pyscf

Missing .dylib files on macOS

PySCF requires working installations of LAPACK and OpenMP. The most reliable method to install these packages on Mac at the user level is using Homebrew and removing any other installations including virtual environments (conda); this makes lapack and libomp available to any Python installations and virtual environments.