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Update colabfold_batch to ColabFold v1.6.2 #648

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Update colabfold_batch to ColabFold v1.6.2 #648

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6 changes: 3 additions & 3 deletions modules/local/colabfold_batch/Dockerfile
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Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ ARG CUDA_VERSION

LABEL org.opencontainers.image.title="nf-core/proteinfold_colabfold" \
org.opencontainers.image.description="Docker image containing all software requirements to run the COLABFOLD_BATCH module using the nf-core/proteinfold pipeline" \
org.opencontainers.image.version="2.0.0" \
org.opencontainers.image.version="2.1.0" \
org.opencontainers.image.authors="Joshua Storm Caley <j.caley@unsw.edu.au>" \
org.opencontainers.image.source="https://github.com/nf-core/proteinfold" \
org.opencontainers.image.licenses="MIT"
Expand All @@ -25,10 +25,10 @@ RUN apt-get update && \
CONDA_OVERRIDE_CUDA=$(echo $CUDA_VERSION | cut -d'.' -f1,2) mamba install -c conda-forge -c nvidia -c bioconda \
openmm pdbfixer kalign2=2.04 hhsuite=3.3.0 -y && \
\
pip install --no-cache-dir --no-warn-conflicts "colabfold[alphafold-minus-jax] @ git+https://github.com/sokrypton/ColabFold.git@e8ebd9a" && \
pip install --no-cache-dir --no-warn-conflicts "colabfold[alphafold-minus-jax] @ git+https://github.com/sokrypton/ColabFold.git@v1.6.2" && \
pip install --no-cache-dir silence_tensorflow && \
pip uninstall -y jax jaxlib || true && \
pip install --no-cache-dir "jax[cuda12]==0.5.3" "jaxlib==0.5.3" && \
pip install --no-cache-dir "jax[cuda12]==0.6.2" && \
\
mamba clean -a -y && \
rm -rf /usr/local/pkgs && \
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