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升级 NUPACK 4.1 并支持混合材料设计

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Lihatoo 2026-08-20 16:33:16 +08:00
parent 5daa60a464
commit c6189d857d
33 changed files with 5830 additions and 466 deletions
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@ -18,7 +18,7 @@ RUN apt-get update && apt-get install -y --no-install-recommends \
perl \
&& rm -rf /var/lib/apt/lists/*
COPY nupack/vendor/nupack-4.0.2.0/package /tmp/nupack-package
COPY nupack/vendor/nupack-4.1.0.1/package /tmp/nupack-package
COPY rna/ViennaRNA-2.7.2.tar.gz /tmp/ViennaRNA-2.7.2.tar.gz
RUN cd /tmp \
@ -36,10 +36,15 @@ RUN python -m pip install --no-cache-dir \
pandas==3.0.3 \
pyyaml==6.0.3 \
jinja2==3.1.6 \
/tmp/nupack-package/nupack-4.0.2.0-cp312-cp312-linux_x86_64.whl
/tmp/nupack-package/nupack-4.1.0.1-cp312-cp312-linux_x86_64.whl
RUN python -m pip install --no-cache-dir redis==7.4.0
ARG NP_APP_VERSION=v5.4-nupack4.1.0.1
LABEL org.opencontainers.image.title="NP Replica" \
org.opencontainers.image.version="${NP_APP_VERSION}" \
org.opencontainers.image.description="NUPACK 4.1 mixed-material analysis and design service"
WORKDIR /app/service
COPY service /app/service