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Commit b3a118fc authored by Jennifer Wei's avatar Jennifer Wei
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Updates Dockerfile to not use OpenMM patches.

parent 2893fd93
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Dockerfile
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...@@ -28,9 +28,7 @@ COPY scripts /opt/openfold/scripts ...@@ -28,9 +28,7 @@ COPY scripts /opt/openfold/scripts
COPY run_pretrained_openfold.py /opt/openfold/run_pretrained_openfold.py COPY run_pretrained_openfold.py /opt/openfold/run_pretrained_openfold.py
COPY train_openfold.py /opt/openfold/train_openfold.py COPY train_openfold.py /opt/openfold/train_openfold.py
COPY setup.py /opt/openfold/setup.py COPY setup.py /opt/openfold/setup.py
COPY lib/openmm.patch /opt/openfold/lib/openmm.patch
RUN wget -q -P /opt/openfold/openfold/resources \ RUN wget -q -P /opt/openfold/openfold/resources \
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
RUN patch -p0 -d /opt/conda/lib/python3.9/site-packages/ < /opt/openfold/lib/openmm.patch
WORKDIR /opt/openfold WORKDIR /opt/openfold
RUN python3 setup.py install RUN python3 setup.py install
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