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2818331
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Parent(s):
bde825c
Update Dockerfile
Browse files- Dockerfile +2 -0
Dockerfile
CHANGED
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@@ -3,6 +3,8 @@ FROM continuumio/miniconda3
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WORKDIR /usr/src/app
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COPY . .
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# install dependcies
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RUN conda install -y -c conda-forge -c openbabel rdkit openbabel
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RUN pip install mdtraj cython
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RUN pip install git+https://github.com/bowman-lab/enspara
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WORKDIR /usr/src/app
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COPY . .
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# install dependcies
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RUN apt-get update
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RUN apt-get -y install gcc
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RUN conda install -y -c conda-forge -c openbabel rdkit openbabel
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RUN pip install mdtraj cython
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RUN pip install git+https://github.com/bowman-lab/enspara
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