Software list for singularity containers for conda packages in the MCC cluster

Software list for singularity containers for conda packages in the MCC cluster

The current list of conda packages and versions installed in the container are listed in the following table. To run the containers, see below:

Package name and version   

Equivalent app in the container to be used in the SLURM script                          

Container name and location                              

Notes

Package name and version   

Equivalent app in the container to be used in the SLURM script                          

Container name and location                              

Notes

tk-8.6.10

tk8610

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

cellranger-6.1.1

cellranger611

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

spaceranger-1.3.0

spaceranger130

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

sra-tools-2.11.0

sratools2110

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

pymatgen-2022.0.12

pymatgen2022012

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

pymatgen+ocelot+rdkit

minimap-2.22

minimap222

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

autodock_vina_1_1_2

vina112

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

purge_dups-1.2.5

purgedups125

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

breakdancer1.4.5

breakdancer145

/share/singularity/images/ccs/conda/mcc-docker-break-dancer.sinf

 

blast-2.12.0

blast2120

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

plink-1.90b6.21

plink190b621

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

mirdeep2-2.0.1.2

mirdeep22012

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

r-seurat-4.0.4

rseurat404

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

bwa-0.7.17

bwa0717

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

cellranger-3.1.0

cellranger310

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

hifiasm-0.16.1

hifiasm0161

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

pbmm2-1.7.0

pbmm2170

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

salsa2-2.3

salsa223

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

singularity run --app salsa223 /share/singularity/images/ccs/conda/amd-conda1-centos8.sinf python /usr/local/Miniconda3/envs/salsa2-2.3/bin/run_pipeline.py

deepvariant-1.2.0

 

/share/singularity/images/ccs/deepvarient/ccs-deepvariant-1.2.0.sinf

See /share/examples/MCC/deepvariant

bcftools-1.13

bcftools113

/share/singularity/images/ccs/ngstools/samtools-1.13+matplotlib-bcftoools-1.13.sinf

singularity run --app samtools113 /share/singularity/images/ccs/ngstools/samtools-1.13+matplotlib-bcftoools-1.13.sinf bcftools

samtools-1.13

samtools113

/share/singularity/images/ccs/ngstools/samtools-1.13+matplotlib-bcftoools-1.13.sinf

singularity run --app samtools113 /share/singularity/images/ccs/ngstools/samtools-1.13+matplotlib-bcftoools-1.13.sinf samtools

gatk4-4.2.2.0

gatk44220

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

ngsTools

ngsTools

/share/singularity/images/ccs/ngstsamtools-1.21.sinf ools/ngsTools.sinf

includes bcftools-1.9, samtools-1.9, htslib-1.9 (from older versions combined)

angsd-0.910

angsd0910

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

angsd-0.931

angsd0931

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

angsd-0.935

angsd0935

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

angsd-0.933

angsd0933

/share/singularity/images/ccs/conda/amd-conda1-centos8.sinf

 

angsd-0.933 

angsd0933hstlib1110

/share/singularity/images/ccs/conda/angsd_v0.933_hstlib_1.11.0.sinf

angsd-0.933 with htslib: 1.11

cortex_con-0.04c

cortexcon004c

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

ambertools-21.10

ambertools2110

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

autodock-vina-1.1.2

aautodockvina112

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

pytraj-2.0.5

pytraj205

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

beagle-5.2_21Apr21.304

beagle5221Apr21304

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

vcftools-0.1.16

vcftools0116

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

gatk4-4.2.2.0

gatk44220

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

picard-2.26.4

picard2264

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

singularity run --app picard2264 /share/singularity/images/ccs/conda/amd-conda2-centos8.sinf java -jar /usr/local/picard-2.26.4/picard.jar -h

hifiasm-0.16.1

hifiasm0161

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

bedtools-2.30.0

bedtools2300

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

cufflinks-2.2.1

cufflinks221

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

mothur-1.46.1

mothur1461

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

kraken2-2.1.2

kraken2212

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

singularity run --app kraken2212 /share/singularity/images/ccs/conda/amd-conda2-centos8.sinf kraken2-build --standard --threads 24 --db plant

inspector

inspector

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

singularity run --app inspector /share/singularity/images/ccs/conda/amd-conda2-centos8.sinf inspector.py

rsem

rsem

/share/singularity/images/ccs/conda/mcc-rsem-docker-ubuntu.sinf

singularity exec /share/singularity/images/ccs/conda/mcc-rsem-docker-ubuntu.sinf 

freebayes1.3.5

freebayes135

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf 

 

star-2.7.9a

star279a

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

ragtag-2.1.0

ragtag210

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

SDA

SDA

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf 

 

bowtie2-2.4.4

bowtie2244

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

hisat2-2.2.1

hisat2221

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

velvet-1.2.10

velvet1210

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

perl-velvetoptimiser-2.2.6

perlvelvetoptimiser226

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

trimmomatic-0.39

trimmomatic039

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

structure-2.3.4

structure234

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

beast-1.10.4

beast1104

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

beast2-2.6.3

beast2263

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

mrbayes-3.2.7

mrbayes327

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

raxml-8.2.12

raxml8212

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

singularity run --app raxml8212 /share/singularity/images/ccs/conda/amd-conda2-centos8.sinf raxmlHPC-AVX2 -h (SERIAL)

singularity run --app raxml8212 /share/singularity/images/ccs/conda/amd-conda2-centos8.sinf raxmlHPC-PTHREADS-AVX2 -h (THREADED)

muscle-3.8.1551

muscle381551

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

ont-guppy-cpu_3.0.3

ontguppycpu303

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

stringtie-2.1.7

stringtie217

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

astral-5.7.3

astral573

/share/singularity/images/ccs/conda/amd-conda2-centos8.sinf

 

bowtie2-2.4.4

bowtie2244

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

bowtie2-2.3.5-sra-linux

bowtie235sralinux

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

blasr-5.3.5

blasr535

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

pbjelly

pbjelly

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

pretext-suite-0.0.2

pretextsuite002

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

trinity-2.13.2

trinity2132

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

 

tetools-1.4

tetools14

/share/singularity/images/ccs/tetools/tetools-1.4.sinf

See details here https://github.com/Dfam-consortium/TETools to run the container

biopython-1.79

biopython179

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

singularity run --app biopython179 /share/singularity/images/ccs/conda/amd-conda4-centos8.sinf python

snakemake-6.12.3

snakemake6123

/share/singularity/images/ccs/conda/amd-conda4-centos8.sinf

singularity run --app snakemake6123 /share/singularity/images/ccs/conda/amd-conda4-centos8.sinf snakemake

biopython, bioperl, bowtie2, bwa-mem, star, hisat2, tophat, cufflinks, stringtie, samtools, GATK, picard, vcftools and bcftools

pipeline1

/share/singularity/images/ccs/conda/amd-pipeline1-centos8.sinf

Pipeline to run multiple packages from a single container

singularity run --app pipeline1 /share/singularity/images/ccs/conda/amd-pipeline1-centos8.sinf

RepeatMasker-4.1.2-p1

RepeatMasker

/share/singularity/images/ccs/tetools/tetools-1.4.sinf

singularity run --app tetools14 /share/singularity/images/ccs/tetools/tetools-1.4.sinf RepeatMasker

To customize RepeatMasker Libraries see  https://github.com/Dfam-consortium/TETools#customizing-the-repeatmasker-libraries 

samtools-1.15-libdeflate

samtools115

/share/singularity/images/ccs/samtools-libdeflate/samtools-1.15.sinf

singularity run --app samtools115 /share/singularity/images/ccs/samtools-libdeflate/samtools-1.15.sinf samtools

ngsLD

ngsLD 

/share/singularity/images/ccs/ngsLD/ngsLD.sinf 

singularity run --app ngsLD /share/singularity/images/ccs/ngsLD/ngsLD.sinf ngsLD

singularity run --app ngsLD /share/singularity/images/ccs/ngsLD/ngsLD.sinf perl /usr/local/ngsLD/scripts/prune_graph.pl

singularity run --app ngsLD /share/singularity/images/ccs/ngsLD/ngsLD.sinf Rscript /usr/local/ngsLD/scripts/fit_LDdecay.R

qiime2-2022.2

qiime220222

/share/singularity/images/ccs/conda/amd-conda1-rocky8.sinf

singularity run --app qiime220222 /share/singularity/images/ccs/conda/amd-conda1-rocky8.sinf qiime

verifybamid2

verifybamid

/share/singularity/images/ccs/verifybamid2/verifybamid2.sinf

singularity run --app verifybamid /share/singularity/images/ccs/verifybamid2/verifybamid2.sinf VerifyBamID

masurca-4.0.8

masurca408

/share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf

singularity run --app masurca408 /share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf masurca

hypo-1.0.3

hypo103

/share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf

singularity run --app hypo103 /share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf hypo

busco-5.3.0

busco530

/share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf

singularity run --app busco530 /share/singularity/images/ccs/conda/amd-conda3-rocky8.sinf busco

talon-5.0

talon50

/share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

singularity run --app talon50 /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf talon

SQANTI3

SQANTI3

/share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

singularity run --app SQANTI3 /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf python /usr/local/SQANTI3-4.2/sqanti3_qc.py

singularity run --app SQANTI3 /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf python /usr/local/SQANTI3-4.2/sqanti3_RulesFilter.py

tama

tama

/share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

singularity run --app tama /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf python /usr/local/tama/tama_collapse.py

singularity run --app tama /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf python /usr/local/tama/tama_merge.py

opera-ms

operams

/share/singularity/images/ccs/opera-ms/opera-ms.sinf

 

singularity run --app operams /share/singularity/images/ccs/opera-ms/opera-ms.sinf

cdna_cupcake-28.0.0

cdna_cupcake2800

/share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

singularity run --app cdna_cupcake2800 /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

cogent 

cogent

/share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf

singularity run --app cogent /share/singularity/images/ccs/conda/amd-conda2-rocky8.sinf run_mash.py

pcangsd-0.98.2

pcangsd0982

/share/singularity/images/ccs/conda/amd-conda4-rocky8.sinf

singularity run --app pcangsd0982 /share/singularity/images/ccs/conda/amd-conda4-rocky8.sinf pcangsd

iqtree-2.2.0_beta

iqtree220beta

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app iqtree220beta /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf  iqtree

bwakit-0.7.17.dev1

bwakit0717dev1

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app bwakit0717dev1 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf bwa

samblaster-0.1.26

samblaster0126

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app samblaster0126 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf samblaster

sambamba-0.8.2

sambamba082

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app sambamba082 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf sambamba

methyldackel-0.6.1

methyldackel061

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app methyldackel061 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf MethylDackel

bwameth-0.2.4

bwameth024

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app bwameth024 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf bwameth.py

bismark-0.23.1

bismark0231

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app bismark0231 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf bismark_genome_preparation

openbabel-3.1.1

openbabel311

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app openbabel311 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf obabel

hisat2-2.1.0

hisat2210

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app hisat2210 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf hisat2

laser-2.04

laser204

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app laser204 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf laser

bedops-2.4.39

bedops2439

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app bedops2439 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf  vcf2bed

Azure azcopy-10.15.0

azcopy10150

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app azcopy10150 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf  azcopy

kallisto-0.48.0

kallisto0480

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app kallisto0480 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf  kallisto

cellranger-7.0.0

cellranger700

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app cellranger700 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf cellranger

rcorrector-1.0.4

rcorrector104

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app rcorrector104 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf rcorrector

r-seurat-4.1.1

rseurat411

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app rseurat411 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf R

singularity run --app rseurat411 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf Rscript

orthofinder-2.5.4

orthofinder254

/share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf

singularity run --app orthofinder254 /share/singularity/images/ccs/conda/amd-conda5-rocky8.sinf orthofinder

mcclintock

mcclintock

 

 

blat-36

blat36

/share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf

singularity run --app blat36 /share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf blat

HTSeq-2.0.2

HTSeq202

/share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf

singularity run --app HTSeq202 /share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf htseq-count 

gffcompare

gffcompare

/share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf

singularity run --app gffcompare /share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf gffcompare

singularity run --app gffcompare /share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf trmap

merqury-1.3

merqury13

/share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf

singularity run --app merqury13 /share/singularity/images/ccs/conda/amd-conda6-rocky8.sinf merqury.sh

fastqc-0.11.3

fastqc0113

Center for Computational Sciences