daverona/alpine/rdkit

This is a repository of Alpine APK packages of RDKit.

• GitLab repository: https://gitlab.com/daverona/alpine/rdkit
• GitHub releases: https://github.com/daverona/alpine-rdkit/releases

Installtion

Download APK files and daverona.rsa.pub from the release page. And run these commands (as root or sudoer) in a terminal:

cp daverona.rsa.pub /etc/apk/keys
apk add *.apk
rm -rf *.apk /etc/apk/keys/daverona.rsa.pub

Docker Installation

ARG ALPINE_VERSION=3.12
FROM alpine:${ALPINE_VERSION}

ARG RDKIT_VERSION=Release_2020_03_6
ARG ALPINE_VERSION
RUN _version=${RDKIT_VERSION#Release_} && _version=${_version//_/.} \
  && _release=r0 \
  && wget -qO /etc/apk/keys/daverona.rsa.pub https://github.com/daverona/alpine-rdkit/releases/download/${_version}-${_release}-alpine${ALPINE_VERSION}/daverona.rsa.pub \
  && for apk in rdkit py3-rdkit; do \
       wget -q https://github.com/daverona/alpine-rdkit/releases/download/${_version}-${_release}-alpine${ALPINE_VERSION}/${apk}-${_version}-${_release}.apk; \
     done \
  && apk add --no-cache *.apk \
  && rm -rf *.apk /etc/apk/keys/daverona.rsa.pub

CMD ["python3"]

References

• RDKit repository: https://github.com/rdkit/rdkit
• RDKit Installation: https://www.rdkit.org/docs/Install.html