Psi4 Singularity image - Githubissues

GQCG-edu / bootcamp

The Bootcamp of the Ghent Quantum Chemistry Group, aimed at achieving the initial competences needed in order to be able to contribute to our electronic structure method development group.

GNU General Public License v3.0

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Psi4 Singularity image #52

Open emielvb opened 1 year ago

emielvb commented 1 year ago

A Psi4 singularity image including at least

psi4
numpy
scipy
pandas
matplotlib is required.

guacke commented 1 year ago

This image is available via:

docker pull ghcr.io/gqcg-oss/containers/psi4-singularity:latest