add missing entrypoint for flux operator

Signed-off-by: vsoch <vsoch@users.noreply.github.com>
rse-ops · Mar 22, 2023 · d8b00c1 · d8b00c1
1 parent a8355cb
commit d8b00c1
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/molecular-design-parsl/scripts/run_0.sh b/molecular-design-parsl/scripts/run_0.sh
@@ -0,0 +1,6 @@
+#!/bin/bash
+
+HERE=$( cd -- "$( dirname -- "${BASH_SOURCE[0]}" )" &> /dev/null && pwd )
+
+eval "$(conda shell.bash activate /opt/conda/envs/moldesign-demo)"
+python3 ${HERE}/0_molecular-design-with-parsl.py $@