Gaussian: 16 Linux

Gaussian requires specific ownership and permissions to run correctly, especially if multiple users will access it. chown -R root:g16 g16 chmod -R 750 g16 Use code with caution.

FROM ubuntu:20.04 RUN apt update && apt install -y csh libgfortran4 COPY g16 /opt/g16 ENV g16root=/opt ENV GAUSS_EXEDIR=/opt/g16 ENV PATH=/opt/g16:$PATH gaussian 16 linux