hemantn Claude Sonnet 4.6 commited on
Commit
6d906ec
·
1 Parent(s): 1434874

Fix: install cpptraj from bioconda channel

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cpptraj is on bioconda, not conda-forge. Use:
mamba install -c bioconda -c conda-forge cpptraj

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>

Files changed (1) hide show
  1. Dockerfile +2 -2
Dockerfile CHANGED
@@ -5,8 +5,8 @@ RUN apt-get update && apt-get install -y \
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  curl \
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  && rm -rf /var/lib/apt/lists/*
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- # Install cpptraj from conda-forge using mamba (faster solver)
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- RUN mamba install -y -c conda-forge cpptraj && mamba clean -afy
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  # Set working directory
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  WORKDIR /app
 
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  curl \
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  && rm -rf /var/lib/apt/lists/*
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+ # Install cpptraj from bioconda (bioconda requires conda-forge as dependency channel)
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+ RUN mamba install -y -c bioconda -c conda-forge cpptraj && mamba clean -afy
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  # Set working directory
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  WORKDIR /app