diff --git a/kubernetes/Dockerfile b/kubernetes/Dockerfile index 846f1645feca6601ac2f11adbc842950f9cfb858..0a3e1a95be118cb5a5b90f0f7d0ad6124bb00b9c 100644 --- a/kubernetes/Dockerfile +++ b/kubernetes/Dockerfile @@ -23,10 +23,10 @@ ENV DEBIAN_FRONTEND=noninteractive LANG=en_US.UTF-8 LC_ALL=C.UTF-8 LANGUAGE=en_U # Fix issue with scipy no lapack/blas resources found and other compilation problems # Install ubuntu modules and the workflow application # --no-install-recommends -RUN apt-get update && apt-get install --yes build-essential cpanminus curl git gnupg htop libfontconfig1 locales nano nodejs pigz python3-dev python3-distutils python3.8 raptor2-utils raptor2-utils sshpass unzip wget zip libblas-dev liblapack-dev zlib1g-dev pkg-config libhdf5-100 libhdf5-dev gfortran libblas-dev liblapack-dev zlib1g-dev pkg-config libhdf5-100 libhdf5-dev gfortran libbz2-dev python-setuptools libidn11 +RUN apt-get update && apt-get install --yes build-essential cpanminus curl git gnupg htop libfontconfig1 locales nano nodejs pigz python3-dev python3-distutils python3.8 raptor2-utils raptor2-utils sshpass unzip wget zip libblas-dev liblapack-dev zlib1g-dev pkg-config libhdf5-100 libhdf5-dev gfortran libblas-dev liblapack-dev zlib1g-dev pkg-config libhdf5-100 libhdf5-dev gfortran libbz2-dev python-setuptools libidn11 rsync RUN curl https://bootstrap.pypa.io/get-pip.py -o get-pip.py && python3.8 get-pip.py && \ - python3.8 -m pip install cwltool==3.1.20211004060744 &&\ + python3.8 -m pip install cwltool==3.1.20220224085855 &&\ cwltool --version && python3.8 -m pip install html5lib # Enable icommands diff --git a/kubernetes/scripts/setup.sh b/kubernetes/scripts/setup.sh deleted file mode 100644 index 496b1dbdb26630360103411ec7a6c8a9aa5be65f..0000000000000000000000000000000000000000 --- a/kubernetes/scripts/setup.sh +++ /dev/null @@ -1,119 +0,0 @@ -# Installs packages on the computational nodes - -R_location=/unlock/infrastructure/R/library -conda_location=/unlock/infrastructure/conda -python_location=/unlock/infrastructure/python_venv - -# Ensures that R can use the library folder -mkdir --parents $R_location - -################################################################ -# Conda environments -################################################################ - -# Update conda -source /root/miniconda/bin/activate -conda update -y -n base -c defaults conda - -# New attempt for picrust -if [[ ! -d "$conda_location/picrust2_v2.4.2" ]] -then - mamba create --yes --prefix $conda_location/picrust2_v2.4.2 -c bioconda -c conda-forge picrust2=2.4.2 -fi - -# Krona and install taxonomy -if [[ ! -d "$conda_location/krona_v2.8.1" ]] -then - mamba create --yes --prefix $conda_location/krona_v2.8.1 -c bioconda krona krona=2.8.1 - conda activate $conda_location/krona_v2.8.1 - ktUpdateTaxonomy.sh -fi - -# Medaka -if [[ ! -d "$conda_location/medaka_v1.5.0" ]] -then - mamba create --yes --prefix $conda_location/medaka_v1.5.0 -c bioconda -c conda-forge medaka=1.5.0 -fi - -# pycoQC -if [[ ! -d "$conda_location/pycoqc_v2.5.2" ]] -then - mamba create --yes --prefix $conda_location/pycoqc_v2.5.2 -c conda-forge -c bioconda pycoqc=2.5.2 -fi -# LongQC -# ? - -# NanoQC -if [[ ! -d "$conda_location/nanoqc_v0.9.4" ]] -then - mamba create --yes --prefix $conda_location/nanoqc_v0.9.4 -c conda-forge -c bioconda nanoqc=0.9.4 -fi - -# Busco -if [[ ! -d "$conda_location/busco_v5.2.2" ]] -then - mamba create --yes --prefix $conda_location/busco_v5.2.2 -c conda-forge -c bioconda busco=5.2.2 -fi - -# GTDB-Tk -if [[ ! -d "$conda_location/gtdbtk_v1.7.0" ]] -then - mamba create --yes --prefix $conda_location/gtdbtk_v1.7.0 -c conda-forge -c bioconda gtdbtk=1.7.0 - echo "export GTDBTK_DATA_PATH=/unlock/references/databases/GTDBTK/release202/" > $conda_location/gtdbtk_v1.7.0/etc/conda/activate.d/gtdbtk.sh -fi - -# CheckM -if [[ ! -d "$conda_location/checkm_v1.1.3" ]] -then - mamba create --yes --prefix $conda_location/checkm_v1.1.3 -c conda-forge -c bioconda checkm-genome=1.1.3 - conda activate $conda_location/checkm_v1.1.3 - checkm data setRoot /unlock/references/databases/CheckM/ - conda deactivate -fi - -# HUMAnN 3 -if [[ ! -d "$conda_location/humann_v3.0.1" ]] -then - mamba create --yes --prefix $conda_location/humann_v3.0.1 -c biobakery -c bioconda -c conda-forge humann=3.0.1 - conda activate /unlock/infrastructure/conda/humann_v3.0.1 - humann_config --update database_folders nucleotide /unlock/references/databases/HUMAnN/chocophlan - humann_config --update database_folders utility_mapping /unlock/references/databases/HUMAnN/utility_mapping - humann_config --update database_folders protein /unlock/references/databases/HUMAnN/uniref - conda deactivate -fi - -# KEGG - kofamscan -if [[ ! -d "$conda_location/kofamscan_v1.3.0" ]] -then - mamba create --yes --prefix $conda_location/kofamscan_v1.3.0 -c conda-forge -c bioconda kofamscan=1.3.0 -fi - -################################################################ -# Pip environments -################################################################ - -# Python virtual environment -python3 -m venv /unlock/infrastructure/venv -# Activate venv -source /unlock/infrastructure/venv/bin/activate -# Upgrade because we can -/unlock/infrastructure/venv/bin/python3 -m pip install --upgrade pip - -## Pip dependencies -python3 -m pip install wheel biom-format pysam numpy matplotlib checkm-genome gtdbtk rdflib python-irodsclient html5lib - -python3 -m pip install cwltool==3.1.20211004060744 -cwltool --version && python3 -m pip install html5lib - -## Pip quast rc1 for 3.9 support -wget https://github.com/ablab/quast/releases/download/quast_5.1.0rc1/quast-5.1.0rc1.tar.gz -pip install quast-5.1.0rc1.tar.gz - -deactivate - -################################################################ -# R Packages -################################################################ - -R -e "install.packages('docopt',dependencies=TRUE, repos='https://packagemanager.rstudio.com/all/__linux__/bionic/latest')" -Rscript /scripts/install2.R -n 10 -s -l $R_location -r https://packagemanager.rstudio.com/all/__linux__/bionic/latest data.table futile.logger ggplot2 optparse plyr readr reshape2 scales viridis yaml parallel castor \ No newline at end of file