hassanmohsin/smina repository overview

FROM hassanmohsin/rdkit-openbabel:latest
MAINTAINER Md Mahmudulla Hassan <[email protected]>

ENV DEBIAN_FRONTEND noninteractive

RUN apt-get update

RUN apt-get -y install git libboost-all-dev libopenbabel-dev build-essential libeigen3-dev
RUN git clone https://git.code.sf.net/p/smina/code smina-code
WORKDIR smina-code
RUN mkdir build
WORKDIR build
RUN cmake .. && make -j24
RUN cp smina /usr/local/bin/
WORKDIR /home

docker run --rm hassanmohsin/smina smina