dockerfile.run

cda

Parsers and algorithms for computational chemistry (Python3 module)

Debian

RUN apt-get update && \
    apt-get install -y python3-cclib

Ubuntu

RUN apt-get update && \
    apt-get install -y python3-cclib

Kali Linux

RUN apt-get update && \
    apt-get install -y python3-cclib

Fedora

RUN dnf install -y python3-cclib

Raspbian

RUN apt-get update && \
    apt-get install -y xmcd

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