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