From 2b9df4c93d53746c9f3409f9825d8006ff8986e7 Mon Sep 17 00:00:00 2001 From: ajz34 Date: Fri, 23 Feb 2024 15:43:23 +0800 Subject: [PATCH] minor change to dockerfile (openblas thread issue?) --- Dockerfile | 1 + 1 file changed, 1 insertion(+) diff --git a/Dockerfile b/Dockerfile index b647800..cd9164c 100644 --- a/Dockerfile +++ b/Dockerfile @@ -21,6 +21,7 @@ RUN cp $PKG_DIR/.pyscf_conf.py ~/.pyscf_conf.py RUN pip --no-cache-dir install -r $PKG_DIR/requirements.txt ENV PYTHONPATH $PKG_DIR:$PYTHONPATH +ENV OMP_NUM_THREADS=4 EXPOSE 8888