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Docker containers for bio-informatics

Usage with Singularity

The first time you run a container with Singularity you get it cached. It takes a minute to download. From second time you run it faster, straight from cache. If the container get updated you will receive an incremental update.

Simple command line

Tests

List files on current directory.

singularity run  docker://lbecchi/metadata:latest ls

Get NodeJS version:

singularity run  docker://lbecchi/metadata:latest node -v

Rscript

singularity run  docker://lbecchi/metadata:latest Rscript  /path/r_script_name.slurm

R interactive session

singularity run  docker://lbecchi/metadata:latest 

Slurm job

Job name "Rsession", 1 cores (-c1), time 1 hour (-t 1:00:00), 1 GB memory (--mem 1G)

srun --mem 1G  -J RJob -c1 -t 1:00:00  singularity run  docker://lbecchi/regioneR:latest Rscript /path/r_script_name.slurm parameter1 parameter2

Slurm interactive sessions

R session

Job name "Rsession", 4 cores (-c4), time 1 hour (-t 1:00:00), 10 GB memory (--mem 10G)

salloc --mem 10G  -J RSession -c4 -t 1:00:00  singularity run  docker://lbecchi/regioneR:latest

Python interactive session

Job name "Rsession", 20 cores (-c20), time 1 hour (-t 1:00:00), 10 GB memory (--mem 10G), node name "c02" (-c02)

salloc --mem 10G -J PythonSession -c20 -w c02 -t 1:00:00  singularity exec  docker://jupyter/scipy-notebook python

Dockerfiles for bio-informatics

R

  1. r4 : R version 4.2.1 from rocker/r-ver. Brings ComplexHeatmap. Ready for testing
  2. regioneR : R version 4.2.1 from rocker/r-ver. Brings regioneR. Ready for testing

GDAL/Ubuntu with parallel

Dockerfile: Metadata
Packages:

  • jq
  • gdal/ogr
  • parallel

Metadata project

Dockerfile: Metadata
Packages:

  • Nodejs
    • aternus/csv-to-xlsx
  • R
    • BiocManager
    • minfi
    • limma
    • IlluminaHumanMethylation450kanno.ilmn12.hg19
    • IlluminaHumanMethylationEPICanno.ilm10b4.hg19
    • IlluminaHumanMethylation450kmanifest
    • IlluminaHumanMethylationEPICmanifest
    • data.table
    • magick
    • tidyverse
    • vroom
    • VennDiagram
    • PerformanceAnalytics
    • Cairo
    • ComplexHeatmap
    • GO.db
    • corrplot

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Docker images for HPC

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