如果您愿意修改定义文件并使用不同的引导源,则以下内容可以在 18.04 LTS 上成功构建,并且也应该在 16.04 上构建。
# Use docker instead of debootstrap, could also probably use a newer version if desired
BootStrap: docker
From: ubuntu:xenial
%environment
# note: this only active in `singularity exec` and `singularity run` steps
export PATH=/miniconda3/bin:$PATH
%runscript
exec vcontact "$@"
%post
apt-get update && apt-get install -y automake build-essential bzip2 wget git default-jre unzip
export BINPATH=/usr/local/bin
# Install miniconda to save dependency nightmares
wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
bash Miniconda3-latest-Linux-x86_64.sh -b -f -p /miniconda3/
rm Miniconda3-latest-Linux-x86_64.sh
# pull the conda functions in
. /miniconda3/etc/profile.d/conda.sh
# make pip, etc. available while in %post
export PATH="/miniconda3/bin:$PATH"
conda install -y -c conda-forge hdf5 pytables pypandoc biopython networkx numpy pandas scipy scikit-learn psutil pip
conda install -y -c bioconda mcl blast diamond
pip install setuptools-markdown
# Install vContact
git clone https://bitbucket.org/MAVERICLab/vcontact2.git
cd vcontact2 && pip install .
# Bug with setuptools?
cp /vcontact2/vcontact/data/ViralRefSeq-prokaryotes-v??.* /miniconda3/lib/python3.7/site-packages/vcontact/data/
# 'Install' ClusterONE
cd / && wget http://www.paccanarolab.org/static_content/clusterone/cluster_one-1.0.jar
mv /cluster_one-1.0.jar $BINPATH && chmod +x $BINPATH/cluster_one-1.0.jar
# Clean stuff up
apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
conda clean --yes --tarballs --packages --source-cache
# TACC's Stampede compliant, for iVirus/CyVerse
mkdir /home1 && mkdir /scratch && mkdir /work
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