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Use Psi4 1.9 in documentation #312

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Feb 5, 2024
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Use Psi4 1.9 in documentation #312

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6 changes: 3 additions & 3 deletions docs/getting-started/installation.md
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Expand Up @@ -51,7 +51,7 @@ mamba install -c openeye openeye-toolkits
recommended to be installed unless you intend to train against data generated using a surrogate such as ANI:

```shell
mamba install -c conda-forge/label/libint_dev -c conda-forge psi4 dftd3-python
mamba install -c conda-forge psi4 dftd3-python
```

[Psi4]: https://psicode.org/
Expand All @@ -66,13 +66,13 @@ compiled dependencies found in multiple channels. An alternative is to install e
initially creating the environment using, with AmberTools:

```shell
mamba create -n bespokefit-env -c conda-forge/label/libint_dev -c conda-forge python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3-python ambertools
mamba create -n bespokefit-env -c conda-forge python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3-python ambertools
```

or with OpenEye Toolkits:

```shell
mamba create -n bespokefit-env -c conda-forge/label/libint_dev -c conda-forge -c openeye python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3-python openeye-toolkits
mamba create -n bespokefit-env -c conda-forge -c openeye python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3-python openeye-toolkits
```

:::
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