41 lines
890 B
Docker
41 lines
890 B
Docker
FROM python:3.12
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LABEL maintainer="Omic"
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LABEL description="PRODIGY - PROtein binDIng enerGY prediction"
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LABEL version="2.4.0"
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# Set environment variables
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ENV DEBIAN_FRONTEND=noninteractive
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ENV PYTHONUNBUFFERED=1
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# Install system dependencies required for freesasa compilation
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RUN apt-get update -y && \
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apt-get install -y --no-install-recommends \
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build-essential \
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gcc \
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g++ \
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make \
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procps \
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&& rm -rf /var/lib/apt/lists/*
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# Upgrade pip
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RUN pip install --no-cache-dir --upgrade pip
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# Install PRODIGY and its dependencies
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# Dependencies: biopython>=1.80, freesasa>=2.2.1, numpy>=2
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RUN pip install --no-cache-dir \
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"biopython>=1.80" \
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"freesasa>=2.2.1" \
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"numpy>=2"
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# Install PRODIGY
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RUN pip install --no-cache-dir prodigy-prot==2.4.0
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# Verify installation
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RUN prodigy --help
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# Set working directory
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WORKDIR /data
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CMD ["prodigy", "--help"]
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