From 7ed4e64a96f681411b5be6154aa97c1403d1fde7 Mon Sep 17 00:00:00 2001 From: Jeff Wagner Date: Tue, 5 Dec 2023 12:34:49 -0800 Subject: [PATCH] add dftd3 install more places --- docs/getting-started/installation.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/getting-started/installation.md b/docs/getting-started/installation.md index 052ca94e..28312206 100644 --- a/docs/getting-started/installation.md +++ b/docs/getting-started/installation.md @@ -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 ambertools +mamba create -n bespokefit-env -c conda-forge/label/libint_dev -c conda-forge -c psi4 python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3 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 openeye-toolkits +mamba create -n bespokefit-env -c conda-forge/label/libint_dev -c conda-forge -c openeye -c psi4 python=3.10 openff-bespokefit "qcportal <0.50" psi4 dftd3 openeye-toolkits ``` :::