mpqcrun
Massively Parallel Quantum Chemistry Program
RUN apt-get update && \
apt-get install -y mpqc
RUN apt-get update && \
apt-get install -y mpqc
RUN apt-get update && \
apt-get install -y mpqc
RUN dnf install -y mpqc
RUN apt-get update && \
apt-get install -y mpqc