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update installation script to use v4.0.0-rc1
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svandenhaute committed Aug 3, 2024
1 parent 720fee3 commit 93a2430
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2 changes: 1 addition & 1 deletion build_containers.sh
Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ while [[ $# -gt 0 ]]; do
esac
done

PSIFLOW_VERSION="main"
PSIFLOW_VERSION="v4.0.0-rc1"
CCTOOLS_VERSION=7.11.1
PLUMED_VERSION=2.9.0
GPU_LIBRARIES=("rocm5.6" "cu118")
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2 changes: 1 addition & 1 deletion docs/install.sh
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Expand Up @@ -7,7 +7,7 @@ eval "$(./bin/micromamba shell hook -s posix)"
micromamba activate
micromamba create -n _psiflow_env -y python=3.10 pip ndcctools=7.11.1 -c conda-forge
micromamba activate _psiflow_env
pip install git+https://github.com/molmod/[email protected]rc0
pip install git+https://github.com/molmod/[email protected]rc1

# create activate.sh
echo 'ORIGDIR=$PWD' >>activate.sh # prevent variable substitution
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