added Dockerfile

This fulfills most of the requirements of #6 The next step would be to publish the built Docker image to DockerHub, but I do not have privileges to publish to the DockerHub repo
deepchem · Jul 7, 2017 · 1317c8d · 1317c8d
1 parent fed8be8
commit 1317c8d
Showing 1 changed file with 11 additions and 0 deletions.
diff --git a/Dockerfile b/Dockerfile
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+FROM deepchemio/deepchem
+
+RUN conda install flask
+RUN git clone https://github.com/deepchem/deepchem-gui.git && \
+	cd deepchem-gui && \
+	python setup.py install
+
+EXPOSE 5000
+
+ENTRYPOINT exec deepchem-gui server -H 0.0.0.0 --no-browser
+