set cp2k data path to share folder in micromamba env

molmod · Feb 8, 2024 · 56dc72a · 56dc72a
1 parent 3cf1bad
commit 56dc72a
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/.github/workflows/run_pytest.yaml b/.github/workflows/run_pytest.yaml
@@ -47,6 +47,7 @@ jobs:
           cd psiflow
           which cp2k.psmp
           export WANDB_API_KEY=${{ secrets.WANDB_API_KEY }}
+          export CP2K_DATA_DIR=ls $(dirname $(which python))/../share/cp2k/data
           pytest --skip-gpu --psiflow-config=.github/threadpool.yaml
         shell: micromamba-shell {0}
   test-py311:
@@ -90,5 +91,6 @@ jobs:
           cd psiflow
           which cp2k.psmp
           export WANDB_API_KEY=${{ secrets.WANDB_API_KEY }}
+          export CP2K_DATA_DIR=ls $(dirname $(which python))/../share/cp2k/data
           pytest --skip-gpu --psiflow-config=.github/threadpool.yaml
         shell: micromamba-shell {0}