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Commit 23c69cbf authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
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Test Dockerfile CUDA compilation

parent 78567a86
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Dockerfile
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...@@ -21,4 +21,5 @@ COPY lib/openmm.patch /opt/openfold/lib/openmm.patch ...@@ -21,4 +21,5 @@ 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/python3.7/site-packages/ < /opt/openfold/lib/openmm.patch RUN patch -p0 -d /opt/conda/lib/python3.7/site-packages/ < /opt/openfold/lib/openmm.patch
RUN python3 /opt/openfold/setup.py install WORKDIR /opt/openfold
RUN python3 setup.py install
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