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KinBot (#600)
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Somehow, KinBot returned!

- Download KinBot v 2.0.6 from KinBot GitHub Releases Page
- Extracts the tar.gz file
- Installs KinBot into arc_env
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calvinp0 committed Feb 9, 2023
2 parents 37f11a4 + 6497b50 commit dbf1fad
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Showing 2 changed files with 4 additions and 6 deletions.
2 changes: 1 addition & 1 deletion arc/job/adapters/ts/kinbot_test.py
Original file line number Diff line number Diff line change
Expand Up @@ -32,7 +32,7 @@ def setUpClass(cls):
cls.maxDiff = None
cls.rmgdb = make_rmg_database_object()
load_families_only(cls.rmgdb)
@pytest.mark.skip(reason="KinBot has been deprecated")
#@pytest.mark.skip(reason="KinBot has been deprecated")
def test_intra_h_migration(self):
"""Test KinBot for intra H migration reactions"""
if HAS_KINBOT:
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8 changes: 3 additions & 5 deletions devtools/install_kinbot.sh
Original file line number Diff line number Diff line change
Expand Up @@ -8,11 +8,9 @@ cd ..

# clone the repo in the parent directory and update it
echo "Cloning/Updating KinBot..."
git clone https://github.com/zadorlab/KinBot
cd KinBot || exit
git fetch origin
git checkout -b stable c9a915c9521a85fe989d328d825803661182e0d9 # This is the last stable installation.
# git pull origin master # commented to avoid pulling the latest version, since it is not stable.
wget https://github.com/zadorlab/KinBot/archive/refs/tags/v2.0.6.tar.gz
tar -xvf "v2.0.6.tar.gz"
cd KinBot-2.0.6 || exit
conda activate arc_env
python setup.py build
python setup.py install
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