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Upgrade to nextclade v3 & update default dataset tags (#375)
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* added new WDL task for nextclade v3. tested w miniwdl. not added to workflows yet

* added common miniwdl output directories to .gitignore

* update sars-cov-2 nextclade defaults; removed unnecessary nextclade_dataset_reference inputs and outputs from organism_param subworkflow

* updates to nextclade v3 task

* update theiacov_fasta to use nextclade v3 task. tested successfully with miniwdl and sc2 sample

* update nextclade defaults for non-sc2 organisms. Have not tested at all, need to test in Terra

* update to nextclade 3.3.1 and implement --verbosity flag for nextclade commands

* updated WDL task for adding samples to nextclade ref tree. tested fine with miniwdl and a Flu HA FASTA

* update Sample_to_ref_tree_PHB workflow: removed old inputs and made assembly_fasta input singular

* updated theiacov_fasta_batch, ilmn pe, ilmn se, and ont to use nextclade v3. need to test on Terra still (have not tested with miniwdl)

* update theiacov_clearlabs to use nextclade_v3. did not test with miniwdl so will need to test in Terra

* fix import path for organism_paramteters subwf in theiacov_clearlabs workflow

* shellcheck lied to me. reverting last commit

* update theiacov_fasta CI

* update theiacov_clearlabs CI

* update theiacov_ont CI

* re-enable theiacov_illumina_pe and se CI workflows; update them for nextclade_v3 and a slew of other updates from previous PRs that were missed since the CI was disabled

* update CI

* nextclade_v3 task: removed unused pcr_primers_csv input; added back input_ref optional input. tested successfully with miniwdl

* nextclade_addToRefTree task and wf change: remove input-pcr-primers option and add input-ref option

* corrected input file type for input-ref
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kapsakcj authored Apr 4, 2024
1 parent c0925a8 commit 51274c7
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4 changes: 3 additions & 1 deletion .gitignore
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cromwell*
cromwell*
_LAST
2024*
105 changes: 84 additions & 21 deletions tasks/taxon_id/task_nextclade.wdl
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Expand Up @@ -60,6 +60,72 @@ task nextclade {
}
}

task nextclade_v3 {
meta {
description: "Nextclade classification of one sample. Leaving optional inputs unspecified will use SARS-CoV-2 defaults."
}
input {
File genome_fasta
File? auspice_reference_tree_json
File? gene_annotations_gff
File? nextclade_pathogen_json
File? input_ref
String docker = "us-docker.pkg.dev/general-theiagen/nextstrain/nextclade:3.3.1"
String dataset_name
String verbosity = "warn" # other options are: "off" "error" "info" "debug" and "trace"
String dataset_tag
Int disk_size = 50
Int memory = 4
Int cpu = 2
}
String basename = basename(genome_fasta, ".fasta")
command <<<
# track version & print to log
nextclade --version | tee NEXTCLADE_VERSION

# --reference no longer used in v3. consolidated into --name and --tag
nextclade dataset get \
--name="~{dataset_name}" \
--tag="~{dataset_tag}" \
-o nextclade_dataset_dir \
--verbosity ~{verbosity}

# exit script/task upon error
set -e

# not necessary to include `--jobs <jobs>` in v3. Nextclade will use all available CPU threads by default. It's fast so I don't think we will need to change unless we see errors
nextclade run \
--input-dataset nextclade_dataset_dir/ \
~{"--input-ref " + input_ref} \
~{"--input-tree " + auspice_reference_tree_json} \
~{"--input-pathogen-json " + nextclade_pathogen_json} \
~{"--input-annotation " + gene_annotations_gff} \
--output-json "~{basename}".nextclade.json \
--output-tsv "~{basename}".nextclade.tsv \
--output-tree "~{basename}".nextclade.auspice.json \
--output-all . \
--verbosity ~{verbosity} \
"~{genome_fasta}"
>>>
runtime {
docker: "~{docker}"
memory: "~{memory} GB"
cpu: cpu
disks: "local-disk " + disk_size + " SSD"
disk: disk_size + " GB" # TES
dx_instance_type: "mem1_ssd1_v2_x2"
maxRetries: 3
}
output {
String nextclade_version = read_string("NEXTCLADE_VERSION")
File nextclade_json = "~{basename}.nextclade.json"
File auspice_json = "~{basename}.nextclade.auspice.json"
File nextclade_tsv = "~{basename}.nextclade.tsv"
String nextclade_docker = docker
String nextclade_dataset_tag = "~{dataset_tag}"
}
}

task nextclade_output_parser {
meta {
description: "Python and bash codeblocks for parsing the output files from Nextclade."
Expand Down Expand Up @@ -163,52 +229,49 @@ task nextclade_add_ref {
}
input {
File genome_fasta
File? root_sequence
File? reference_tree_json
File? qc_config_json
File? nextclade_pathogen_json
File? gene_annotations_gff
File? pcr_primers_csv
File? virus_properties
String docker = "us-docker.pkg.dev/general-theiagen/nextstrain/nextclade:2.14.0"
File? input_ref
String docker = "us-docker.pkg.dev/general-theiagen/nextstrain/nextclade:3.3.1"
String dataset_name
String? dataset_reference
String? dataset_tag
Int disk_size = 50
Int memory = 8
String verbosity = "warn" # other options are: "off" "error" "info" "debug" and "trace"
Int disk_size = 100
Int memory = 4
Int cpu = 2
}
String basename = basename(genome_fasta, ".fasta")
command <<<
NEXTCLADE_VERSION="$(nextclade --version)"
echo $NEXTCLADE_VERSION > NEXTCLADE_VERSION
# track version & print to log
nextclade --version | tee NEXTCLADE_VERSION
echo "DEBUG: downloading nextclade dataset..."
nextclade dataset get \
--name="~{dataset_name}" \
~{"--reference " + dataset_reference} \
~{"--tag " + dataset_tag} \
-o nextclade_dataset_dir \
--verbose
--verbosity ~{verbosity}
# If no referece sequence is provided, use the reference tree from the dataset
# If no reference sequence is provided, use the reference tree from the dataset
if [ -z "~{reference_tree_json}" ]; then
echo "Default dataset reference tree JSON will be used"
cp nextclade_dataset_dir/tree.json reference_tree.json
cp -v nextclade_dataset_dir/tree.json reference_tree.json
else
echo "User reference tree JSON will be used"
cp ~{reference_tree_json} reference_tree.json
cp -v ~{reference_tree_json} reference_tree.json
fi
tree_json="reference_tree.json"
set -e
echo "DEBUG: running nextclade..."
nextclade run \
--input-dataset=nextclade_dataset_dir/ \
~{"--input-root-seq " + root_sequence} \
--input-dataset nextclade_dataset_dir/ \
--input-tree ${tree_json} \
~{"--input-qc-config " + qc_config_json} \
~{"--input-gene-map " + gene_annotations_gff} \
~{"--input-pcr-primers " + pcr_primers_csv} \
~{"--input-virus-properties " + virus_properties} \
~{"--input-pathogen-json " + nextclade_pathogen_json} \
~{"--input-annotation " + gene_annotations_gff} \
~{"--input-ref " + input_ref} \
--output-json "~{basename}".nextclade.json \
--output-tsv "~{basename}".nextclade.tsv \
--output-tree "~{basename}".nextclade.auspice.json \
Expand Down
81 changes: 36 additions & 45 deletions tests/workflows/theiacov/test_wf_theiacov_clearlabs.yml
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Expand Up @@ -212,67 +212,58 @@
- path: miniwdl_run/call-ncbi_scrub_se/work/clearlabs_R1_dehosted.fastq.gz
- path: miniwdl_run/call-ncbi_scrub_se/work/r1.fastq
- path: miniwdl_run/call-ncbi_scrub_se/work/r1.fastq.clean
- path: miniwdl_run/call-nextclade/command
- path: miniwdl_run/call-nextclade/inputs.json
- path: miniwdl_run/call-nextclade_v3/command
- path: miniwdl_run/call-nextclade_v3/inputs.json
contains: ["dataset_name", "dataset_tag", "genome_fasta"]
- path: miniwdl_run/call-nextclade/outputs.json
- path: miniwdl_run/call-nextclade_v3/outputs.json
contains: ["nextclade", "nextclade_json", "nextclade_version"]
- path: miniwdl_run/call-nextclade/stderr.txt
- path: miniwdl_run/call-nextclade/stderr.txt.offset
- path: miniwdl_run/call-nextclade/stdout.txt
- path: miniwdl_run/call-nextclade/task.log
- path: miniwdl_run/call-nextclade_v3/stderr.txt
- path: miniwdl_run/call-nextclade_v3/stderr.txt.offset
- path: miniwdl_run/call-nextclade_v3/stdout.txt
- path: miniwdl_run/call-nextclade_v3/task.log
contains: ["wdl", "theiacov_clearlabs", "nextclade", "done"]
- path: miniwdl_run/call-nextclade/work/NEXTCLADE_VERSION
md5sum: 91a455762183b41af0d8de5596e28e7f
- path: miniwdl_run/call-nextclade/work/_miniwdl_inputs/0/clearlabs.medaka.consensus.fasta
- path: miniwdl_run/call-nextclade_v3/work/NEXTCLADE_VERSION
md5sum: 70aa6879bf9f0e8ba2b9953b0d4a2216
- path: miniwdl_run/call-nextclade_v3/work/_miniwdl_inputs/0/clearlabs.medaka.consensus.fasta
md5sum: d41d8cd98f00b204e9800998ecf8427e
- path: miniwdl_run/call-nextclade/work/clearlabs.medaka.consensus.nextclade.auspice.json
- path: miniwdl_run/call-nextclade/work/clearlabs.medaka.consensus.nextclade.json
- path: miniwdl_run/call-nextclade/work/clearlabs.medaka.consensus.nextclade.tsv
- path: miniwdl_run/call-nextclade/work/nextclade.aligned.fasta
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.medaka.consensus.nextclade.auspice.json
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.medaka.consensus.nextclade.json
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.medaka.consensus.nextclade.tsv
- path: miniwdl_run/call-nextclade_v3/work/nextclade.aligned.fasta
md5sum: eb18c508f26125851279f2c03d4a336c
- path: miniwdl_run/call-nextclade/work/nextclade.csv
- path: miniwdl_run/call-nextclade/work/nextclade.errors.csv
md5sum: 2d1dad70d68e56d0a1191900c17061bc
- path: miniwdl_run/call-nextclade/work/nextclade.insertions.csv
md5sum: 3fb6db0807dc663e2821e0bbbccdc5aa
- path: miniwdl_run/call-nextclade/work/nextclade.ndjson
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/genemap.gff
md5sum: b4bd70a3779718e556a17360a41dce90
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/primers.csv
md5sum: 5990c3483bf66ce607aeb90a44e7ef2e
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/qc.json
md5sum: b01f4491a54941fea12ec5b04a10fb8c
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/reference.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.csv
- path: miniwdl_run/call-nextclade_v3/work/nextclade.ndjson
- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/genome_annotation.gff3
md5sum: 4dff84d2d6ada820e0e3a8bc6798d402
- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/pathogen.json
md5sum: 9f99ba19333ff907af307611fbb73e21
- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/reference.fasta
md5sum: c7ce05f28e4ec0322c96f24e064ef55c
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/sequences.fasta
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/tag.json
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/tree.json
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/virus_properties.json
md5sum: 03bd2f9d33326299b5b49b4910d84183
- path: miniwdl_run/call-nextclade/work/nextclade_gene_E.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/sequences.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/tree.json
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.E.fasta
md5sum: 14808ad8b34c8bac7de500707400250e
- path: miniwdl_run/call-nextclade/work/nextclade_gene_M.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.M.fasta
md5sum: 4799e5af880d2005da56342d6a9d64ab
- path: miniwdl_run/call-nextclade/work/nextclade_gene_N.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.N.fasta
md5sum: bbc46cedb153b3213a9cf8f425dd906c
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF1a.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF1a.fasta
md5sum: 0c1b1bbcbcfe86d10c466bf63fca5c11
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF1b.translation.fasta
md5sum: 23a0497efe0ccffaf51b792f40ca5036
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF3a.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF1b.fasta
md5sum: bea75a83074a11fa74c316e4df6a3d9f
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF3a.fasta
md5sum: 692b2c314c4ff6584a40273dc239cb78
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF6.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF6.fasta
md5sum: c1d610f9e45acd3915e40f0d643f0188
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF7a.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF7a.fasta
md5sum: a655a6c325b0bc9ad69842fcf2e927a7
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF7b.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF7b.fasta
md5sum: 27fd219bb6d18731898a9ddfdee27f67
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF8.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF8.fasta
md5sum: 398798980c482562e7c5b21b205e0445
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF9b.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF9b.fasta
md5sum: 3d6a949bdcecaf70e9d123651a7a7c5e
- path: miniwdl_run/call-nextclade/work/nextclade_gene_S.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.S.fasta
md5sum: 0ce44a0a8e2784ca4b3e8d8f03211813
- path: miniwdl_run/call-nextclade_output_parser/command
md5sum: f377fb9fc901d440fa35b1b05317a0e1
Expand Down
90 changes: 41 additions & 49 deletions tests/workflows/theiacov/test_wf_theiacov_fasta.yml
Original file line number Diff line number Diff line change
Expand Up @@ -36,67 +36,59 @@
- path: miniwdl_run/call-consensus_qc/work/PERCENT_REF_COVERAGE
md5sum: 6808ca805661622ad65ae014a4b2a094
- path: miniwdl_run/call-consensus_qc/work/_miniwdl_inputs/0/clearlabs.fasta.gz
- path: miniwdl_run/call-nextclade/command
md5sum: 5574a2eac479f797176a8ecc305b5e0d
- path: miniwdl_run/call-nextclade/inputs.json
- path: miniwdl_run/call-nextclade/outputs.json
- path: miniwdl_run/call-nextclade/stderr.txt
- path: miniwdl_run/call-nextclade/stderr.txt.offset
- path: miniwdl_run/call-nextclade/stdout.txt
- path: miniwdl_run/call-nextclade/task.log
- path: miniwdl_run/call-nextclade/work/NEXTCLADE_VERSION
md5sum: 91a455762183b41af0d8de5596e28e7f
- path: miniwdl_run/call-nextclade/work/_miniwdl_inputs/0/clearlabs.fasta.gz
- path: miniwdl_run/call-nextclade/work/clearlabs.fasta.gz.nextclade.auspice.json
- path: miniwdl_run/call-nextclade/work/clearlabs.fasta.gz.nextclade.json
- path: miniwdl_run/call-nextclade/work/clearlabs.fasta.gz.nextclade.tsv
md5sum: 9b459df2831ab1974c9c8cef5bc5340e
- path: miniwdl_run/call-nextclade/work/nextclade.aligned.fasta
- path: miniwdl_run/call-nextclade_v3/command
md5sum: 2cd5aabef6c3aaa89a503e59a3b6b36c
- path: miniwdl_run/call-nextclade_v3/inputs.json
- path: miniwdl_run/call-nextclade_v3/outputs.json
- path: miniwdl_run/call-nextclade_v3/stderr.txt
- path: miniwdl_run/call-nextclade_v3/stderr.txt.offset
- path: miniwdl_run/call-nextclade_v3/stdout.txt
- path: miniwdl_run/call-nextclade_v3/task.log
- path: miniwdl_run/call-nextclade_v3/work/NEXTCLADE_VERSION
md5sum: 70aa6879bf9f0e8ba2b9953b0d4a2216
- path: miniwdl_run/call-nextclade_v3/work/_miniwdl_inputs/0/clearlabs.fasta.gz
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.fasta.gz.nextclade.auspice.json
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.fasta.gz.nextclade.json
- path: miniwdl_run/call-nextclade_v3/work/clearlabs.fasta.gz.nextclade.tsv
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md5sum: eb3f8ec90ecd728a0b03a14171085702
- path: miniwdl_run/call-nextclade/work/nextclade.ndjson
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/genemap.gff
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- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/qc.json
- path: miniwdl_run/call-nextclade/work/nextclade_dataset_dir/reference.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.csv
md5sum: 50ca5404982b62cbdf077c5d16543e6f
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- path: miniwdl_run/call-nextclade_v3/work/nextclade_dataset_dir/sequences.fasta
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- path: miniwdl_run/call-nextclade/work/nextclade_gene_M.translation.fasta
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md5sum: 440de8feeb02bd06878c63319513fb74
- path: miniwdl_run/call-nextclade/work/nextclade_gene_N.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.N.fasta
md5sum: 8a45a3246eb19643cb305a29a3f7f712
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF1a.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF1a.fasta
md5sum: b2f11d3bc5674501f9231bfe37e87412
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF1b.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF1b.fasta
md5sum: 7597678bc323068f31cd6cc726384903
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF3a.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF3a.fasta
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md5sum: ae20a4dae100edd4033cb8af32a4d0bc
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- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF7a.fasta
md5sum: 31d03e19799bc52da442217a5e1f1313
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF7b.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF7b.fasta
md5sum: 5a505858730e58ac19c052ea2ee84517
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF8.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF8.fasta
md5sum: 0e8b98d96c0d75386f08755ea9b3899d
- path: miniwdl_run/call-nextclade/work/nextclade_gene_ORF9b.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.ORF9b.fasta
md5sum: fb478d9f262d6a4b3ca5554e4b6654b9
- path: miniwdl_run/call-nextclade/work/nextclade_gene_S.translation.fasta
- path: miniwdl_run/call-nextclade_v3/work/nextclade.cds_translation.S.fasta
md5sum: e630a638abbb2c8ab4a8b74455e9668f
- path: miniwdl_run/call-nextclade_output_parser/command
md5sum: 0805cf58414b2ffaf3ea5e53f85a5f3d
Expand All @@ -119,7 +111,7 @@
- path: miniwdl_run/call-nextclade_output_parser/work/_miniwdl_inputs/0/clearlabs.fasta.gz.nextclade.tsv
md5sum: d41d8cd98f00b204e9800998ecf8427e
- path: miniwdl_run/call-nextclade_output_parser/work/input.tsv
md5sum: 9b459df2831ab1974c9c8cef5bc5340e
md5sum: 3aeae954ba64b8ad7db55e08f9c7131c
- path: miniwdl_run/call-pangolin4/command
md5sum: b9c36681b77c5e007bf7e890265d70eb
- path: miniwdl_run/call-pangolin4/inputs.json
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