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minor change to dockerfile (openblas thread issue?)
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ajz34 committed Feb 23, 2024
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Expand Up @@ -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

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