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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -13,6 +13,7 @@ conda config --set solver libmamba
1313echo " >>> Beginning full ARC external repo installation..."
1414pushd . > /dev/null
1515
16+ bash devtools/install_arc.sh
1617bash devtools/install_rmg.sh
1718bash devtools/install_molecule.sh
1819bash devtools/install_gcn_cpu.sh
Original file line number Diff line number Diff line change 1+ #! /usr/bin/env bash
2+ set -eo pipefail
3+
4+ ENV_NAME=" arc_env"
5+ ENV_FILE=" environment.yml"
6+
7+ # Initialize conda for bash
8+ source " $( conda info --base) /etc/profile.d/conda.sh"
9+
10+ # Check if the environment exists
11+ if conda env list | grep -qw " $ENV_NAME " ; then
12+ echo " ✔️ Environment '$ENV_NAME ' exists. Updating from $ENV_FILE ..."
13+ conda env update -n " $ENV_NAME " -f " $ENV_FILE "
14+ else
15+ echo " 📦 Creating environment '$ENV_NAME ' from $ENV_FILE ..."
16+ conda env create -n " $ENV_NAME " -f " $ENV_FILE "
17+ fi
18+
19+ echo " ✅ ARC environment setup complete."
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