diff --git a/docs/getting-started/installation.md b/docs/getting-started/installation.md index 2dafdd3d..83b46ff7 100644 --- a/docs/getting-started/installation.md +++ b/docs/getting-started/installation.md @@ -11,7 +11,7 @@ the two sections below ("Fragmentation Backends" and "Reference Data Generators") ```shell -mamba install -c conda-forge openff-bespokefit +mamba install -c conda-forge openff-bespokefit "qcportal <0.50" ``` If you do not have Mamba installed, see the [OpenFF installation documentation](openff.docs:install). @@ -62,13 +62,13 @@ 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 psi4 ambertools +mamba create -n bespokefit-env -c conda-forge/label/libint_dev -c conda-forge python=3.10 openff-bespokefit "qcportal <0.50" psi4 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 psi4 openeye-toolkits +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 ``` ::: @@ -131,5 +131,5 @@ mamba activate openff-bespokefit Finally, install the package itself into the new environment: ```shell -python setup.py develop +python -m pip install -e . ```