daverona/openbabel repository overview
daverona/openbabel
This is a repository for Docker images of Open Babel library.
- GitLab source repository: https://gitlab.com/daverona/docker/openbabel
- Docker Hub repository: https://hub.docker.com/r/daverona/openbabel
Available versions are:
| Version | Ubuntu | Alpine |
|---|---|---|
| 3.1.1 | 3.1.1, latest | 3.1.1-alpine3.10 |
| 3.1.0 | 3.1.0 | 3.1.0-alpine3.10 |
| 3.0.0 | 3.0.0 | 3.0.0-alpine3.10 |
Installation
Pull the image from Docker Hub repository:
docker image pull daverona/openbabel
Quick Start
Run the container:
docker container run --rm \
daverona/openbabel \
python3 -c "import openbabel;print(openbabel.__version__)"
It will show the version of openbabel built in the container.
If you want a Python 3 shell with openbabel available, run the container:
docker container run --rm \
--interactive --tty \
daverona/openbabel
Advanced Usages
Copy to Another Docker Image
To copy Open Babel from this image to yours not as base image, add the following:
# Replace 3.1.1 with the version you want on the next two lines
ARG OPENBABEL_HOME=/usr/local/openbabel/3.1.1
COPY --from=daverona/openbabel:3.1.1 $OPENBABEL_HOME $OPENBABEL_HOME
RUN apt-get update \
&& apt-get install --yes --quiet --no-install-recommends \
libboost-filesystem1.65.1 \
libboost-iostreams1.65.1 \
libboost-program-options1.65.1 \
libboost-regex1.65.1 \
libboost-system1.65.1 \
libboost-test1.65.1 \
libpython3.6 \
libxml2 \
python3 \
python3-cairo \
swig \
&& apt-get clean && rm -rf /var/lib/apt/lists/* \
&& ln -s $OPENBABEL_HOME/lib/python3.6/site-packages/openbabel /usr/local/lib/python3.6/dist-packages/openbabel
ENV LD_LIBRARY_PATH=$OPENBABEL_HOME/lib:$LD_LIBRARY_PATH
ENV PATH=$OPENBABEL_HOME/bin:$PATH
References
- Open Babel source repository: https://github.com/openbabel/openbabel
- Open Babel documentation: https://open-babel.readthedocs.io/
Tag summary
Content type
Image
Digest
Size
66.2 MB
Last updated
over 6 years ago
docker pull daverona/openbabel