Develop full suite of tests for manual execution

[jfy133]

Description of feature

A major problem we currently have during development is our CI tests are nowhere near comprehensive enough due to the pipeline utilising extremely large database files that do not fit in GHA resource allocations.

We should develop and document a suite of manual tests developers should run on their own infrastructure to ensure the pipeline is indeed working as intended.

mag missing configs and tests

For Automated CI

• [ ] Config one
  • [ ] Direct fastq input
• [x] Config two
  • [x] #594
• [ ] ~Config three~
  • [x] krona (requires small database) Turned on in main config

For manual CI

Does not need a database

• [x] Config four
  • [x] #592

Datbases on AWS

• [ ] Config five (shared with below)
  • [ ] CAT
  • [ ] GTDB

Databases NOT on AWS

• [ ] Config five (shared with above)
  • [ ] CheckM (in CI but not in a config)
  • [ ] GUNC
  • [ ] Metaeuk

[prototaxites]

Metaeuk

For MetaEuk, specifying params.metaeuk_mmseqs_db = "UniProtKB/Swiss-Prot" only entails downloading a small database - doing a quick check, the fasta it's based on is only 87Mb. So that should potentially be feasible to run more automatedly?

[jfy133]

@prototaxites

Yeah that definitely should be feasible! Is it a single file with a public URL?

[prototaxites]

@prototaxites

Yeah that definitely should be feasible! Is it a single file with a public URL?

"UniProtKB/Swiss-Prot" is the string passed to the mmseqs databases command, which downloads the latest release of the database AFAIK. Now that I think about it, I'm not sure there's a way to specify a version, unfortunately, which limits reproducibility.

Alternative would be to specify the URL of a fasta file to --metaeuk_db - in the MetaEuk module test, I passed it the yeast .faa in the test-data repo: https://github.com/nf-core/modules/blob/master/tests/modules/nf-core/metaeuk/easypredict/main.nf, which seemed to work OK, but it might be better to find a prokaryotic file to use with the test data.

[jfy133]

List of tools that need to be somehow covered, where they are covered in currently:

tool	config	comment
adapterremoval	test_adapterremoval	maybe could be moved into ancient-dna, as they are people who mostly use it?
aria2	NONE	used with checkm
bbmap/bbnorm	test_bbnorm	Short test
bcftools	test_ancient_dna
cat	test
checkm	NONE
centrifuge	test
concoct	test_bin_refinement / test_concoct	test_conoct: everything else deactivated due to very long run time
dastool	test_binrefinement / test_ancient_dna
fastp	test
fastqc	test
freebayes	test_ancient_dna
genomad	test_virus_identification	everything else turned off (necessary?)
gtdbtk	NONE	large db (make mini?)
gunc	NONE	does it have a large db?
gunzip	test
krona	test
maxbin	test
metabat2	test
metaeuk	test_adapterremoval
mmseqs	NONE	only if --metaeuk_mmseqs_db is supplied
multiqc	test
prodigal	test
prokka	test
pydamage	test_ancient_dna
samtools	test_ancient_dna
seqtk	test_bbnorm	Short test
tiara	test_adapterremoval	note has a special DASTOOL_FASTATOCONTIGBIN_TIARA process that doesn't actually run DASTOOL!
bowtie2 (phix)	test
bowtie2 (host)	test_host_rm / test_hubrid_host_rm
bowtie2 (assembly)	test
busco	test
CAT	NONE	large db (make mini?)
filtlong	test_hybrid / test_hybrid_rm
kraken2	test
megahit	test
spades	test
spadeshybrid	test_hybrid / test_hybrid_rm
nanolyse	test_hybrid / test_hybrid_rm
nanoplot	test_hybrid / test_hybrid_rm
porechop	test_hybrid / test_hybrid_rm
quast	test
tiara	test_adapter_removal

Additional:

context	config
samplesheet input	test
assembly input	tesT_bin_Refinement

[jfy133]

Proposal:

name	description	tools	done
test	default (incl. those that run pre-assembly if db supplied (skip metaeuk?) except concoct	centrifuge, kraken2, krona	yes
test_single_end	test but with single end input (as current, as only skips steps where reads not needed)		yes
test_alternatives	all alternative tools	adapterremoval, checkm, bin_domain_classification	yes
test_preassembly_binrefine	genomad, concoct, binning refinement (gunc), metaeuk	conoct, gunc, metaeuk
test_hybrid_rm	for long read, w/host remove
test_nothing	everything off		Yes
test_extras	standard test but with additional opt-in functionality	keep_phix, bbnorm, host_rm, genomad, ancient_dna, tiara,
test_bigdb	tools with big databases (mini versions: CAT/GTDBK)
test_full	as current

[CarsonJM]

@jfy133 this is fantastic! The old structure of tests was very confusing 😅