nwchem
High-performance computational chemistry software
RUN apt-get update && \
apt-get install -y nwchem
RUN apt-get update && \
apt-get install -y nwchem
RUN apt-get update && \
apt-get install -y nwchem
RUN dnf install -y nwchem
RUN apt-get update && \
apt-get install -y nwchem