diff --git a/containers/Singularity b/containers/Singularity index bbe21147078959f9d084029f6d2a6db028df9c0a..026136f88357dc1d137864dec4838f9ef101e2e5 100644 --- a/containers/Singularity +++ b/containers/Singularity @@ -28,7 +28,7 @@ From:python:3.7-stretch rm mash-Linux64-v2.2.tar &&\ mv /opt/src/mash-Linux64-v2.2/mash /usr/local/bin &&\ rm -r mash-Linux64-v2.2 - + # Update makeblastdb and blastp for prokka cd /opt/src wget ftp://ftp.ncbi.nlm.nih.gov/blast/executables/LATEST/ncbi-blast-2.10.1+-x64-linux.tar.gz && \ diff --git a/containers/Singularity.1.0.1 b/containers/Singularity.1.0.1 new file mode 100644 index 0000000000000000000000000000000000000000..50668430c564cb9e4d09dc112093a8b7ce1abd31 --- /dev/null +++ b/containers/Singularity.1.0.1 @@ -0,0 +1,157 @@ +Bootstrap: docker +From:python:3.7-stretch + +%post + # Update apt-get packages + apt-get update &&\ + apt-get -y upgrade + + # To use the "local" python, not the system one. + export PATH="/usr/local/bin":$PATH + # To avoid using python things installed in the HOME of root + # (that will be mounted during singularity build) + export PYTHONNOUSERSITE=1 + + # Install packages needed + apt-get install -y wget + + # Upgrade pip + pip3 install --upgrade pip + + # For manually-installed programs + mkdir -p /opt/src + + # Install mash + cd /opt/src + wget https://github.com/marbl/Mash/releases/download/v2.2/mash-Linux64-v2.2.tar &&\ + tar -xf mash-Linux64-v2.2.tar &&\ + rm mash-Linux64-v2.2.tar &&\ + mv /opt/src/mash-Linux64-v2.2/mash /usr/local/bin &&\ + rm -r mash-Linux64-v2.2 + + # Update makeblastdb and blastp for prokka + cd /opt/src + wget ftp://ftp.ncbi.nlm.nih.gov/blast/executables/LATEST/ncbi-blast-2.10.1+-x64-linux.tar.gz && \ + tar zxvpf ncbi-blast-2.10.1+-x64-linux.tar.gz &&\ + cp /opt/src/ncbi-blast-2.10.1+/bin/makeblastdb /usr/local/bin/ &&\ + cp /opt/src/ncbi-blast-2.10.1+/bin/blastp /usr/local/bin/ &&\ + rm ncbi-blast-2.10.1+-x64-linux.tar.gz + + # Install barrnap + cd /opt/src + wget https://github.com/tseemann/barrnap/archive/0.8.tar.gz &&\ + tar -xf 0.8.tar.gz &&\ + rm 0.8.tar.gz &&\ + mv /opt/src/barrnap-0.8/bin/barrnap /usr/local/bin &&\ + # Remove heavy useless files + rm -r /opt/src/barrnap-0.8/examples /opt/src/barrnap-0.8/build/*.aln + + # Install prodigal + cd /opt/src + wget https://github.com/hyattpd/Prodigal/archive/v2.6.3.tar.gz &&\ + tar -xzf v2.6.3.tar.gz &&\ + rm v2.6.3.tar.gz + cd /opt/src/Prodigal-2.6.3 + make &&\ + make install + + # Install prokka: + cd /opt/src + apt-get install -y\ + libdatetime-perl \ + libxml-simple-perl \ + libdigest-md5-perl \ + git \ + default-jre \ + bioperl + git clone https://github.com/tseemann/prokka.git + /opt/src/prokka/bin/prokka --setupdb &&\ + ln -s /opt/src/prokka/bin/prokka /usr/local/bin + + # Install MMseqs2 Version: f05f8c51d6e9c7c0b15fbd533e4b678303f50b3e + cd /opt/src + wget https://mmseqs.com/latest/mmseqs-linux-sse41.tar.gz &&\ + tar xvfz mmseqs-linux-sse41.tar.gz &&\ + rm mmseqs-linux-sse41.tar.gz &&\ + mv /opt/src/mmseqs/bin/mmseqs /usr/local/bin &&\ + # remove useless files + rm -r /opt/src/mmseqs + + + # Install mafft 7.313 + rm /usr/bin/mafft # remove mafft installed with bioperl + cd /opt/src + wget https://mafft.cbrc.jp/alignment/software/mafft-7.313-with-extensions-src.tgz &&\ + tar xf mafft-7.313-with-extensions-src.tgz &&\ + rm mafft-7.313-with-extensions-src.tgz + cd /opt/src/mafft-7.313-with-extensions/core + make clean &&\ + make &&\ + make install + + + # Install FastTree version 2.1.11 Double precision (No SSE3) + cd /opt/src + wget http://www.microbesonline.org/fasttree/FastTree.c &&\ + gcc -DOPENMP -fopenmp -DUSE_DOUBLE -Wall -O3 -finline-functions -funroll-loops -o FastTreeMP FastTree.c -lm &&\ + ln -s /opt/src/FastTreeMP /usr/local/bin + + + ## Install FastME FastME 2.1.6.1 + cd /opt/src + apt-get install -y automake &&\ + git clone https://gite.lirmm.fr/atgc/FastME.git + cd /opt/src/FastME + ./configure &&\ + make &&\ + make install + + + # Install quicktree + cd /opt/src + git clone https://github.com/tseemann/quicktree + cd quicktree + make &&\ + ln -s /opt/src/quicktree/quicktree /usr/local/bin + + + # Install iqtree + cd /opt/src + wget https://github.com/Cibiv/IQ-TREE/releases/download/v1.6.12/iqtree-1.6.12-Linux.tar.gz + tar -xzf iqtree-1.6.12-Linux.tar.gz &&\ + rm iqtree-1.6.12-Linux.tar.gz &&\ + ln -s /opt/src/iqtree-1.6.12-Linux/bin/iqtree /usr/local/bin + + + # Install iqtree2 + cd /opt/src + wget https://github.com/Cibiv/IQ-TREE/releases/download/v2.0.6/iqtree-2.0.6-Linux.tar.gz + tar -xzf iqtree-2.0.6-Linux.tar.gz &&\ + rm iqtree-2.0.6-Linux.tar.gz &&\ + ln -s /opt/src/iqtree-2.0.6-Linux/bin/iqtree2 /usr/local/bin + + + # Install PanACoTA + cd /opt/src + wget https://github.com/gem-pasteur/PanACoTA/archive/v1.0.1.tar.gz + tar -xzf v1.0.1.tar.gz + cd /opt/src/PanACoTA-1.0.1 + ./make + + +%environment + export LC_ALL=C + # To use the "local" python, not the system one. + export PATH="/usr/local/bin":$PATH + # To avoid using python things installed in the HOME of the user + # (that will be mounted during container execution) + export PYTHONNOUSERSITE=1 + + +%runscript + if [ "$*" ] + then + exec /usr/local/bin/PanACoTA "$@" + else + exec /usr/local/bin/PanACoTA -h + fi