diff --git a/README.md b/README.md index 3cb0d26..d4c7f3e 100644 --- a/README.md +++ b/README.md @@ -16,6 +16,41 @@ housed in this repository. ## Usage +### Provision input data + +Input sequences and metadata can be retrieved from data.nextstrain.org + +* [sequences.fasta.xz](https://data.nextstrain.org/files/workflows/ebola/test/sequences.fasta.zst) +* [metadata.tsv.zst](https://data.nextstrain.org/files/workflows/ebola/test/metadata.tsv.zst) + +Note that these data are generously shared by many labs around the world. +If you analyze and plan to publish using these data, please contact these labs first. + +Within the analysis pipeline, these data are fetched from data.nextstrain.org and written to `data/` with: + +```bash +nextstrain build . data/sequences.fasta data/metadata.tsv +``` + +### Run analysis pipeline + +Run pipeline to produce "overview" tree for `/ebola` with: + +```bash +nextstrain build . +``` + +### Visualize results + +View results with: + +```bash +nextstrain view auspice/ +``` + + + ## Configuration diff --git a/Snakefile b/Snakefile index 25fa1d0..518fca6 100644 --- a/Snakefile +++ b/Snakefile @@ -1,3 +1,6 @@ +if not config: + configfile: "config/config_ebola.yaml" + rule all: input: auspice_json = "auspice/ebola.json" @@ -16,40 +19,62 @@ rule files: files = rules.files.params rule download: - """Downloading sequences from fauna""" + """Downloading sequences and metadata from data.nextstrain.org""" output: - sequences = "data/ebola.fasta" + sequences = "data/sequences.fasta.zst", + metadata = "data/metadata.tsv.zst", params: - fasta_fields = "strain virus accession collection_date region country division location source locus authors url title journal puburl" + sequences_url = "https://data.nextstrain.org/files/workflows/ebola/test/sequences.fasta.zst", + metadata_url = "https://data.nextstrain.org/files/workflows/ebola/test/metadata.tsv.zst", shell: """ - python3 ../fauna/vdb/download.py \ - --database vdb \ - --virus ebola \ - --fasta_fields {params.fasta_fields} \ - --resolve_method choose_genbank \ - --path $(dirname {output.sequences}) \ - --fstem $(basename {output.sequences} .fasta) + curl -fsSL --compressed {params.sequences_url:q} --output {output.sequences} + curl -fsSL --compressed {params.metadata_url:q} --output {output.metadata} """ -rule parse: - """Parsing fasta into sequences and metadata""" +rule decompress: + message: "Decompressing sequences and metadata" input: - sequences = files.input_fasta + sequences = "data/sequences.fasta.zst", + metadata = "data/metadata.tsv.zst" output: - sequences = "results/sequences.fasta", - metadata = "results/metadata.tsv" + sequences = "data/sequences.fasta", + metadata = "data/metadata.tsv", + shell: + """ + zstd -d -c {input.sequences} > {output.sequences} + zstd -d -c {input.metadata} > {output.metadata} + """ + +rule wrangle_metadata: + input: + metadata="data/metadata.tsv", + output: + metadata="results/wrangled_metadata.tsv", params: - fasta_fields = "strain virus accession date region country division city db segment authors url title journal paper_url", - prettify_fields = "region country division city" + strain_id=lambda w: config.get("strain_id_field", "strain"), + wrangle_metadata_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/scripts/wrangle_metadata.py", shell: """ - augur parse \ - --sequences {input.sequences} \ - --output-sequences {output.sequences} \ - --output-metadata {output.metadata} \ - --fields {params.fasta_fields} \ - --prettify-fields {params.prettify_fields} + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/wrangle_metadata.py ]] || $download_cmd bin/wrangle_metadata.py {params.wrangle_metadata_url} + chmod +x bin/* + + # (3) Run the script + python3 ./bin/wrangle_metadata.py --metadata {input.metadata} \ + --strain-id {params.strain_id} \ + --output {output.metadata} """ rule filter: @@ -60,8 +85,8 @@ rule filter: - excluding strains in {input.exclude} """ input: - sequences = "results/sequences.fasta", - metadata = "results/metadata.tsv", + sequences = "data/sequences.fasta", + metadata = "results/wrangled_metadata.tsv", include = files.forced_strains, exclude = files.dropped_strains output: @@ -129,7 +154,7 @@ rule refine: input: tree = "results/tree_raw.nwk", alignment = "results/aligned.fasta", - metadata = "results/metadata.tsv" + metadata = "results/wrangled_metadata.tsv" output: tree = "results/tree.nwk", node_data = "results/branch_lengths.json" @@ -154,7 +179,7 @@ rule ancestral: """Reconstructing ancestral sequences and mutations""" input: tree = "results/tree.nwk", - alignment = "results/aligned.fasta" + alignment = "results/aligned.fasta", output: node_data = "results/nt_muts.json" params: @@ -189,7 +214,7 @@ rule traits: """Inferring ancestral traits for {params.columns!s}""" input: tree = "results/tree.nwk", - metadata = "results/metadata.tsv" + metadata = "results/wrangled_metadata.tsv" output: node_data = "results/traits.json", params: @@ -208,7 +233,7 @@ rule export: """Exporting data files for for auspice""" input: tree = "results/tree.nwk", - metadata = "results/metadata.tsv", + metadata = "results/wrangled_metadata.tsv", branch_lengths = "results/branch_lengths.json", traits = "results/traits.json", nt_muts = "results/nt_muts.json", @@ -218,7 +243,8 @@ rule export: auspice_config = files.auspice_config, description = files.description output: - auspice_json = rules.all.input.auspice_json + auspice_json = "results/raw_ebola.json", + root_sequence="results/raw_ebola_root-sequence.json", shell: """ augur export v2 \ @@ -233,6 +259,44 @@ rule export: --output {output.auspice_json} """ +rule final_strain_name: + input: + auspice_json="results/raw_ebola.json", + metadata="results/wrangled_metadata.tsv", + root_sequence="results/raw_ebola_root-sequence.json", + output: + auspice_json="auspice/ebola.json", + root_sequence="auspice/ebola_root-sequence.json", + params: + display_strain_field=lambda w: config.get("display_strain_field", "strain"), + set_final_strain_name_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/scripts/set_final_strain_name.py", + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/set_final_strain_name.py ]] || $download_cmd bin/set_final_strain_name.py {params.set_final_strain_name_url} + chmod +x bin/* + + # (3) Run the script + python3 bin/set_final_strain_name.py \ + --metadata {input.metadata} \ + --input-auspice-json {input.auspice_json} \ + --display-strain-name {params.display_strain_field} \ + --output {output.auspice_json} + + cp {input.root_sequence} {output.root_sequence} + """ + rule clean: """Removing directories: {params}""" params: diff --git a/config/config_ebola.yaml b/config/config_ebola.yaml new file mode 100644 index 0000000..aa8d020 --- /dev/null +++ b/config/config_ebola.yaml @@ -0,0 +1,2 @@ +strain_id_field: "accession" +display_strain_field: "strain_original" \ No newline at end of file diff --git a/example_data/metadata.tsv b/example_data/metadata.tsv new file mode 100644 index 0000000..316f8a5 --- /dev/null +++ b/example_data/metadata.tsv @@ -0,0 +1,31 @@ +strain accession date region country division city authors url title +G5016.1 KR105293 2014-08-16 subsaharan_africa sierra_leone kenema kenema Goba et al https://www.ncbi.nlm.nih.gov/nuccore/KR105293 "Ebola virus epidemiology, transmission, and viral evolution from four months of sequencing in Sierra Leone" +EM_080193 KR817239 2014-06-29 subsaharan_africa liberia liberia liberia Carroll et al https://www.ncbi.nlm.nih.gov/nuccore/KR817239 Temporal and spatial analysis of the 2014-2015 Ebola virus outbreak in West Africa +EM_074351 KR817110 2014-07-22 subsaharan_africa liberia lofa lofa Carroll et al https://www.ncbi.nlm.nih.gov/nuccore/KR817110 Temporal and spatial analysis of the 2014-2015 Ebola virus outbreak in West Africa +LIBR10253 KT725282 2014-09-16 subsaharan_africa liberia margibi margibi Ladner et al https://www.ncbi.nlm.nih.gov/nuccore/KT725282 "Evolution and spread of Ebola virus in Liberia, 2014-2015" +G3848 KM233110 2014-06-18 subsaharan_africa sierra_leone kailahun kailahun Gire et al https://www.ncbi.nlm.nih.gov/nuccore/KM233110 Genomic surveillance elucidates Ebola virus origin and transmission during the 2014 outbreak +EM_000027 KR817068 2014-09-01 subsaharan_africa guinea guinea guinea Carroll et al https://www.ncbi.nlm.nih.gov/nuccore/KR817068 Temporal and spatial analysis of the 2014-2015 Ebola virus outbreak in West Africa +LIBR10047 KT725345 2014-10-01 subsaharan_africa liberia margibi margibi Ladner et al https://www.ncbi.nlm.nih.gov/nuccore/KT725345 "Evolution and spread of Ebola virus in Liberia, 2014-2015" +G4350.1 KR105242 2014-07-14 subsaharan_africa sierra_leone kenema kenema Goba et al https://www.ncbi.nlm.nih.gov/nuccore/KR105242 "Ebola virus epidemiology, transmission, and viral evolution from four months of sequencing in Sierra Leone" +J0165 KP759703 2014-11-08 subsaharan_africa sierra_leone western_urban western_urban Tong et al https://www.ncbi.nlm.nih.gov/nuccore/KP759703 Genetic diversity and evolutionary dynamics of Ebola virus in Sierra Leone +G3926.2 KR105208 2014-06-22 subsaharan_africa sierra_leone kailahun kailahun Goba et al https://www.ncbi.nlm.nih.gov/nuccore/KR105208 "Ebola virus epidemiology, transmission, and viral evolution from four months of sequencing in Sierra Leone" +EM_080223 KR817241 2014-07-04 subsaharan_africa liberia liberia liberia Carroll et al https://www.ncbi.nlm.nih.gov/nuccore/KR817241 Temporal and spatial analysis of the 2014-2015 Ebola virus outbreak in West Africa +G4345.1 KR105239 2014-07-18 subsaharan_africa sierra_leone kenema kenema Goba et al https://www.ncbi.nlm.nih.gov/nuccore/KR105239 "Ebola virus epidemiology, transmission, and viral evolution from four months of sequencing in Sierra Leone" +LIBR10218 KT725284 2014-09-29 subsaharan_africa liberia liberia liberia Ladner et al https://www.ncbi.nlm.nih.gov/nuccore/KT725284 "Evolution and spread of Ebola virus in Liberia, 2014-2015" +G3807 KM233084 2014-06-15 subsaharan_africa sierra_leone kailahun kailahun Gire et al https://www.ncbi.nlm.nih.gov/nuccore/KM233084 Genomic surveillance elucidates Ebola virus origin and transmission during the 2014 outbreak +LIBR10224 KT725302 2014-09-26 subsaharan_africa liberia montserrado montserrado Ladner et al https://www.ncbi.nlm.nih.gov/nuccore/KT725302 "Evolution and spread of Ebola virus in Liberia, 2014-2015" +13031_EMLH KU296665 2015-05-18 subsaharan_africa sierra_leone western_urban western_urban Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296665 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +G5996.1 KR105337 2014-09-25 subsaharan_africa sierra_leone sierra_leone sierra_leone Goba et al https://www.ncbi.nlm.nih.gov/nuccore/KR105337 "Ebola virus epidemiology, transmission, and viral evolution from four months of sequencing in Sierra Leone" +DML24708 KT357845 2015-01-28 subsaharan_africa sierra_leone kono kono Smits et al https://www.ncbi.nlm.nih.gov/nuccore/KT357845 "Hypermutated Ebola virus circulating in Magazine Wharf area, Freetown, Sierra Leone" +15686_EMLK KU296555 2015-06-30 subsaharan_africa sierra_leone kambia kambia Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296555 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +EM_COY_2015_016617 EM_COY_2015_016617 2015-05-16 subsaharan_africa guinea dubreka dubreka Quick et al https://github.com/nickloman/ebov/ ? +Makona-UK3 KR025228 2015-03-12 subsaharan_africa sierra_leone western_area western_area Lewandowski et al https://www.ncbi.nlm.nih.gov/nuccore/KR025228 Direct Submission +EM_000968 KR817085 2014-10-01 subsaharan_africa guinea macenta macenta Carroll et al https://www.ncbi.nlm.nih.gov/nuccore/KR817085 Temporal and spatial analysis of the 2014-2015 Ebola virus outbreak in West Africa +490_EMLH KU296746 2015-01-30 subsaharan_africa sierra_leone sierra_leone sierra_leone Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296746 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +PL4696 KU296513 2015-03-13 subsaharan_africa sierra_leone port_loko port_loko Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296513 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +MK2788 KU296573 2015-03-07 subsaharan_africa sierra_leone bombali bombali Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296573 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +LIBR10110 KT725387 2014-08-20 subsaharan_africa liberia liberia liberia Ladner et al https://www.ncbi.nlm.nih.gov/nuccore/KT725387 "Evolution and spread of Ebola virus in Liberia, 2014-2015" +J0102 KP759657 2014-10-27 subsaharan_africa sierra_leone port_loko port_loko Tong et al https://www.ncbi.nlm.nih.gov/nuccore/KP759657 Genetic diversity and evolutionary dynamics of Ebola virus in Sierra Leone +EM_COY_2015_017574 EM_COY_2015_017574 2015-06-10 subsaharan_africa guinea boke boke Quick et al https://github.com/nickloman/ebov/ ? +18636_EMLH KU296460 2015-07-08 subsaharan_africa sierra_leone sierra_leone sierra_leone Arias et al https://www.ncbi.nlm.nih.gov/nuccore/KU296460 Rapid outbreak sequencing of Ebola virus in Sierra Leone identifies transmission chains linked to sporadic cases +V768 KR534588 2014-08-27 subsaharan_africa guinea conakry conakry Simon-Loriere et al https://www.ncbi.nlm.nih.gov/nuccore/KR534588 Distinct lineages of Ebola virus in Guinea during the 2014 West African epidemic \ No newline at end of file diff --git a/example_data/sequences.fasta b/example_data/sequences.fasta new file mode 100644 index 0000000..324a8eb --- /dev/null +++ b/example_data/sequences.fasta @@ -0,0 +1,60 @@ +>KR105293 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+>KR025228 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diff --git a/ingest/README.md b/ingest/README.md new file mode 100644 index 0000000..0c81a30 --- /dev/null +++ b/ingest/README.md @@ -0,0 +1,89 @@ +# nextstrain.org/ebola/ingest + +This is the ingest pipeline for Ebola virus sequences. + +## Usage + +> NOTE: All command examples assume you are within the `ingest` directory. +> If running commands from the outer `ebola` directory, please replace the `.` with `ingest` + +Fetch sequences with + +```sh +nextstrain build --cpus 1 . data/sequences.ndjson +``` + +Run the complete ingest pipeline with + +```sh +nextstrain build --cpus 1 . +``` + +This will produce two files (within the `ingest` directory): + +- data/metadata.tsv +- data/sequences.fasta + +Run the complete ingest pipeline and upload results to AWS S3 with + +```sh +nextstrain build . --configfiles config/config.yaml config/optional.yaml +``` + +### Adding new sequences not from GenBank + +#### Static Files + +Do the following to include sequences from static FASTA files. + +1. Convert the FASTA files to NDJSON files with: + + ```sh + wget https://raw.githubusercontent.com/nextstrain/monkeypox/master/ingest/bin/fasta-to-ndjson -O bin/fasta-to-ndjson + chmod 755 bin/fasta-to-ndjson + ./bin/fasta-to-ndjson \ + --fasta {path-to-fasta-file} \ + --fields {fasta-header-field-names} \ + --separator {field-separator-in-header} \ + --exclude {fields-to-exclude-in-output} \ + > ingest/data/{file-name}.ndjson + ``` + +2. Add the following to the `.gitignore` to allow the file to be included in the repo: + + ```gitignore + !ingest/data/{file-name}.ndjson + ``` + +3. Add the `file-name` (without the `.ndjson` extension) as a source to `ingest/config/config.yaml`. This will tell the ingest pipeline to concatenate the records to the GenBank sequences and run them through the same transform pipeline. + +## Configuration + +Configuration takes place in `config/config.yaml` by default. +Optional configs for uploading files and Slack notifications are in `config/optional.yaml`. + +### Environment Variables + +The complete ingest pipeline with AWS S3 uploads and Slack notifications uses the following environment variables: + +#### Required + +- `AWS_DEFAULT_REGION` +- `AWS_ACCESS_KEY_ID` +- `AWS_SECRET_ACCESS_KEY` +- `SLACK_TOKEN` +- `SLACK_CHANNELS` + +#### Optional + +These are optional environment variables used in our automated pipeline for providing detailed Slack notifications. + +- `GITHUB_RUN_ID` - provided via [`github.run_id` in a GitHub Action workflow](https://docs.github.com/en/actions/learn-github-actions/contexts#github-context) +- `AWS_BATCH_JOB_ID` - provided via [AWS Batch Job environment variables](https://docs.aws.amazon.com/batch/latest/userguide/job_env_vars.html) + +## Input data + +### GenBank data + +GenBank sequences and metadata are fetched via NCBI Virus. +The exact URL used to fetch data is constructed in `bin/genbank-url`. diff --git a/ingest/Snakefile b/ingest/Snakefile new file mode 100644 index 0000000..f58e943 --- /dev/null +++ b/ingest/Snakefile @@ -0,0 +1,82 @@ +if not config: + + configfile: "config/config.yaml" + + +send_slack_notifications = config.get("send_slack_notifications", False) + +serotypes = ['all'] + +def _get_all_targets(wildcards): + # Default targets are the metadata TSV and sequences FASTA files + all_targets = ["data/sequences.fasta.zst", "data/metadata.tsv.zst"] + + # Add additional targets based on upload config + upload_config = config.get("upload", {}) + + for target, params in upload_config.items(): + files_to_upload = params.get("files_to_upload", []) + remote_file_names = params.get("remote_file_names", []) + + if len(files_to_upload) != len(remote_file_names): + print( + f"Skipping file upload for {target!r} because the number of", + "files to upload does not match the number of remote file names.", + ) + elif len(remote_file_names) != len(set(remote_file_names)): + print( + f"Skipping file upload for {target!r} because there are duplicate remote file names." + ) + elif not params.get("dst"): + print( + f"Skipping file upload for {target!r} because the destintion was not defined." + ) + else: + all_targets.extend( + expand( + [ + f"data/upload/{target}/{{file_to_upload}}-to-{{remote_file_name}}.done" + ], + zip, + file_to_upload=files_to_upload, + remote_file_name=remote_file_names, + ) + ) + + # Add additional targets for Nextstrain's internal Slack notifications + if send_slack_notifications: + all_targets.extend( + [ + "data/notify/genbank-record-change.done", + "data/notify/metadata-diff.done", + ] + ) + + if config.get("trigger_rebuild"): + all_targets.append("data/trigger/rebuild.done") + + return all_targets + + +rule all: + input: + _get_all_targets, + + +include: "workflow/snakemake_rules/fetch_sequences.smk" +include: "workflow/snakemake_rules/transform.smk" + + +if config.get("upload"): + + include: "workflow/snakemake_rules/upload.smk" + + +if send_slack_notifications: + + include: "workflow/snakemake_rules/slack_notifications.smk" + + +if config.get("trigger_rebuild"): + + include: "workflow/snakemake_rules/trigger_rebuild.smk" diff --git a/ingest/bin/genbank-url b/ingest/bin/genbank-url new file mode 100755 index 0000000..65ad8f6 --- /dev/null +++ b/ingest/bin/genbank-url @@ -0,0 +1,109 @@ +#!/usr/bin/env python3 +""" +Generate URL to download all Pathogen sequences and their curated metadata +from GenBank via NCBI Virus. + +The URL this program builds is based on the URL for SARS-CoV-2 constructed with + + https://github.com/nextstrain/ncov-ingest/blob/2a5f255329ee5bdf0cabc8b8827a700c92becbe4/bin/genbank-url + +and observing the network activity at + + https://www.ncbi.nlm.nih.gov/labs/virus/vssi/#/virus?SeqType_s=Nucleotide&VirusLineage_ss=Monkeypox%20virus,%20taxid:10244 + https://www.ncbi.nlm.nih.gov/labs/virus/vssi/#/virus?SeqType_s=Nucleotide&VirusLineage_ss=Dengue%20virus,%20taxid:12637 +""" +from urllib.parse import urlencode +import argparse +from datetime import date + +def parse_args(): + """ + Define parse args + """ + parser = argparse.ArgumentParser( + description="Given an NCBI taxon ID, generate URL to download " + "all viral sequences and their curated metadata from GenBank via NCBI Virus." + ) + parser.add_argument( + "--taxonid", + help="NCBI Taxon ID.", + required=True + ) + return parser.parse_args() + + +def build_query_url(ncbi_id: str): + """ + Generate URL to download all viral sequences and their curated metadata + from GenBank via NCBI Virus. + """ + today = str(date.today().strftime("%Y-%m-%d")) + endpoint = "https://www.ncbi.nlm.nih.gov/genomes/VirusVariation/vvsearch2/" + params = { + # Search criteria + 'fq': [ + '{!tag=SeqType_s}SeqType_s:("Nucleotide")', # Nucleotide sequences (as opposed to protein) + f'VirusLineageId_ss:({ncbi_id})', # NCBI Taxon id for virus + 'Division_s:("VRL")', # Restrict to viral sequences, avoid PAT + '{!tag=SLen_i}SLen_i:([5000 TO 20000])', # Longer than 5K bp, shorter than 20k bp + #'{!tag=CollectionDate_s}CollectionDate_s:([2013-01-01T00:00:00.00Z TO ' + today + 'T00:00:00.00Z ])', # after 2013 + #'{!tag=UpdateDate_dt}UpdateDate_dt:([2022-01-01T00:00:00.00Z TO 2022-12-01T00:00:00.00Z ])', # recent + ], +# + # Unclear, but seems necessary. + 'q': '*:*', + + # Response format + 'cmd': 'download', + 'dlfmt': 'csv', + 'fl': ','.join( + ':'.join(names) for names in [ + # Pairs of (output column name, source data field). + ('genbank_accession', 'id'), + ('genbank_accession_rev', 'AccVer_s'), + ('database', 'SourceDB_s'), + ('strain', 'Isolate_s'), + ('strain_s', 'Strain_s'), # Derive strain name if Isolate_s is empty + ('viruslineage_ids', 'VirusLineageId_ss'), # Derive denv1 to 4 based on lineage ID + ('region', 'Region_s'), + ('location', 'CountryFull_s'), + ('collected', 'CollectionDate_s'), + ('submitted', 'CreateDate_dt'), + ('updated', 'UpdateDate_dt'), # Check for recent updates to the record + ('length', 'SLen_i'), + ('host', 'Host_s'), + ('isolation_source', 'Isolation_csv'), + ('bioproject_accession', 'BioProject_s'), + ('biosample_accession', 'BioSample_s'), + ('sra_accession', 'SRALink_csv'), + ('title', 'Definition_s'), # Should be PubMed title, not Definition + ('authors', 'Authors_csv'), + ('submitting_organization', 'SubmitterAffilFull_s'), + ('publications', 'PubMed_csv'), + ('sequence', 'Nucleotide_seq'), + ] + ), + + # Stable sort with GenBank accessions. + # Columns are source data fields, not our output columns. + 'sort': 'id asc', + + # This isn't Entrez, but include the same email parameter it requires just + # to be nice. + 'email': 'hello@nextstrain.org', + } + query = urlencode(params, doseq=True, encoding="utf-8") + + print(f"{endpoint}?{query}") + + +def main(): + """ + Main method + """ + args = parse_args() + build_query_url(args.taxonid) + + +if __name__ == "__main__": + main() diff --git a/ingest/config/config.yaml b/ingest/config/config.yaml new file mode 100644 index 0000000..e0ab1c1 --- /dev/null +++ b/ingest/config/config.yaml @@ -0,0 +1,73 @@ +# Sources of sequences to include in the ingest run +sources: ['genbank'] + +# Params for the transform rule +transform: + # Fields to rename. + # This is the first step in the pipeline, so any references to field names + # in the configs below should use the new field names + field_map: ['collected=date', 'submitted=date_submitted', 'genbank_accession=accession', 'submitting_organization=institution'] + # Standardized strain name regex + # Currently accepts any characters because we do not have a clear standard for strain names + strain_regex: '^.+$' + # Back up strain name field if 'strain' doesn't match regex above + strain_backup_fields: ['accession'] + # List of date fields to standardize + date_fields: ['date', 'date_submitted', 'updated'] + # Expected date formats present in date fields + # These date formats should use directives expected by datetime + # See https://docs.python.org/3.9/library/datetime.html#strftime-and-strptime-format-codes + expected_date_formats: ['%Y', '%Y-%m', '%Y-%m-%d', '%Y-%m-%dT%H:%M:%SZ'] + # Titlecase rules + titlecase: + # Abbreviations not cast to titlecase, keeps uppercase + abbreviations: ['USA'] + # Articles that should not be cast to titlecase + articles: [ + 'and', 'd', 'de', 'del', 'des', 'di', 'do', 'en', 'l', 'la', 'las', 'le', + 'los', 'nad', 'of', 'op', 'sur', 'the', 'y' + ] + # List of string fields to titlecase + fields: ['region', 'country', 'division', 'location'] + # Authors field name + authors_field: 'authors' + # Authors default value if authors value is empty + authors_default_value: '?' + # Field name for the generated abbreviated authors + abbr_authors_field: 'abbr_authors' + # General geolocation rules to apply to geolocation fields + geolocation_rules_url: 'https://raw.githubusercontent.com/nextstrain/ncov-ingest/master/source-data/gisaid_geoLocationRules.tsv' + # Local geolocation rules that are only applicable to dengue data + # Local rules can overwrite the general geolocation rules provided above + local_geolocation_rules: './source-data/geolocation-rules.tsv' + # User annotations file + annotations: 'source-data/annotations.tsv' + # ID field used to merge annotations + annotations_id: 'accession' + # Field to use as the sequence ID in the FASTA file + id_field: 'accession' + # Field to use as the sequence in the FASTA file + sequence_field: 'sequence' + # Final output columns for the metadata TSV + metadata_columns: [ + 'accession', + 'genbank_accession_rev', + 'strain', + 'strain_s', + 'viruslineage_ids', + 'date', + 'updated', + 'region', + 'country', + 'division', + 'location', + 'host', + 'date_submitted', + 'sra_accession', + 'abbr_authors', + 'reverse', + 'authors', + 'institution', + 'title', + 'publications' + ] diff --git a/ingest/config/optional.yaml b/ingest/config/optional.yaml new file mode 100644 index 0000000..e5e9975 --- /dev/null +++ b/ingest/config/optional.yaml @@ -0,0 +1,24 @@ +# Optional configs used by Nextstrain team +# Params for uploads +upload: + # Upload params for AWS S3 + s3: + # AWS S3 Bucket with prefix + dst: 's3://nextstrain-data/files/workflows/ebola/test' + # Files to upload to S3 that are in the `data` directory + files_to_upload: [ + 'metadata.tsv.zst', + 'sequences.fasta.zst', + ] + # Remote file names for the files to upload, must be in the same order as local files above + remote_file_names: [ + 'metadata.tsv.zst', + 'sequences.fasta.zst', + ] + cloudfront_domain: 'data.nextstrain.org' + +# Toggle for Slack notifications +send_slack_notifications: False + +# Toggle for triggering builds +trigger_rebuild: False diff --git a/ingest/source-data/annotations.tsv b/ingest/source-data/annotations.tsv new file mode 100644 index 0000000..4dec4d1 --- /dev/null +++ b/ingest/source-data/annotations.tsv @@ -0,0 +1,274 @@ +AF380138 country Democratic Republic of the Congo +AY741551 country Sierra Leone +DQ011153 country USA +DQ011154 country Republic of the Congo +DQ011155 country Democratic Republic of the Congo +DQ011156 country Liberia +DQ011157 country USA +NC_003310 country Democratic Republic of the Congo +AF380138 region Africa +AY741551 region Africa +AY753185 region Africa +DQ011153 region North America +DQ011154 region Africa +DQ011155 region Africa +DQ011156 region Africa +DQ011157 region North America +NC_003310 region Africa +AY603973 date 1961-XX-XX +AY741551 date 1970-XX-XX +AY753185 date 1958-XX-XX +DQ011153 date 2003-XX-XX +DQ011156 date 1970-XX-XX +DQ011157 date 2003-XX-XX +LC722946 date 2022-07-XX +MG693723 date 2017-XX-XX +AF380138 date 1996-XX-XX +DQ011154 date 2003-XX-XX +DQ011155 date 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KU Leuven, Rega Institute, Belgium +ON622718 institution Microbiology, Hospital Universitari Germans Trias i Pujol, Spain +ON622720 institution Laboratory of Viorology, University Hospital of Geneva, Switzerland +ON622721 institution Department of Biomedical & Clinical Sciences, University of Milan, Italy +ON622722 institution Virology, GENomique EPIdemiologique das maladies Infectieuses, France +ON627808 institution Department of Health, Utah Public Health Laboratory, USA +ON631241 institution Laboratory for Diagnostics of Zoonoses & WHO Centre, Institute of Microbiology & Immunology, Faculty of Medicine, University of Ljubljana, Slovenia +ON631963 institution Victorian Infectious Diseases Reference Laboratory, Doherty Institute, Australia +ON637938 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON637939 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON644344 institution Genomics & Epigenomics, AREA Science Park, Italy +ON645312 institution Centre for Clinical Infection & Diagnostics Research, Kings College London, St Thomas Hospital, UK +ON649708 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649709 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649710 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649711 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649712 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649713 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649714 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649715 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649716 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649717 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649718 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649719 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649720 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649721 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649722 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649723 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649724 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649725 institution Institute National de Saude Doutor Ricardo Jorge (INSA), Portugal +ON649879 institution Biochemistry & Molecular Genetics, Israel Institute for Biological Research, Israel +ON674051 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON675438 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676703 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676704 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676705 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676706 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676707 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON676708 institution Division of High-Consequence Pathogens & Pathology, Centers for Disease Control & Prevention (US CDC), USA +ON682263 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682264 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682265 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682266 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682267 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682268 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682269 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON682270 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694329 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694330 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694331 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694332 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694333 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694334 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694335 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694336 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694337 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694338 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694339 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694340 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694341 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON694342 institution Centre for Biological Threats, Highly Pathogenic Viruses, Robert Koch Institute, Germany +ON720848 institution Microbial Genomics, Hospital General Universitario Gregorio Marañón, Madrid, Spain +ON720849 institution Microbial Genomics, Hospital General Universitario Gregorio Marañón, Madrid, Spain diff --git a/ingest/source-data/geolocation-rules.tsv b/ingest/source-data/geolocation-rules.tsv new file mode 100644 index 0000000..2fc03f8 --- /dev/null +++ b/ingest/source-data/geolocation-rules.tsv @@ -0,0 +1,16 @@ +Africa/Cote d'Ivoire/*/* Africa/Côte d'Ivoire/*/* +Africa/Cote d'Ivoire/Tai National Park/* Africa/Côte d'Ivoire/Bas-Sassandra/Tai National Park +Africa/Democratic Republic of the Congo/Province Bandundu/* Africa/Democratic Republic of the Congo/Bandundu/* +Africa/Democratic Republic of the Congo/Province Equateur/* Africa/Democratic Republic of the Congo/Équateur/* +Africa/Democratic Republic of the Congo/Province Kasai Occidental/* Africa/Democratic Republic of the Congo/Kasaï-Occidental/* +Africa/Democratic Republic of the Congo/Province Kasai Oriental/* Africa/Democratic Republic of the Congo/Kasaï-Oriental/* +Africa/Democratic Republic of the Congo/Province P. Oriental/* Africa/Democratic Republic of the Congo/Orientale/* +Africa/Democratic Republic of the Congo/Yangdongi/ Africa/Democratic Republic of the Congo/Mongala/Yangdongi +Africa/Democratic Republic of the Congo/Zaire/* Africa/Democratic Republic of the Congo// +Africa/Zaire/*/* Africa/Democratic Republic of the Congo// +*/Zaire/*/* Africa/Democratic Republic of the Congo// +Europe/France/Paris/* Europe/France/Ile de France/Paris FR +Europe/Italy/Fvg/Gorizia Europe/Italy/Friuli Venezia Giulia/Gorizia +# Unclear which location is the real location +Europe/Netherlands/Utrecht/Rotterdam Europe/Netherlands// +North America/USA/Washington/Dc North America/USA/Washington DC/ diff --git a/ingest/workflow/snakemake_rules/fetch_sequences.smk b/ingest/workflow/snakemake_rules/fetch_sequences.smk new file mode 100644 index 0000000..aff8f28 --- /dev/null +++ b/ingest/workflow/snakemake_rules/fetch_sequences.smk @@ -0,0 +1,60 @@ +""" +This part of the workflow handles fetching sequences from various sources. +Uses `config.sources` to determine which sequences to include in final output. + +Currently only fetches sequences from GenBank, but other sources can be +defined in the config. If adding other sources, add a new rule upstream +of rule `fetch_all_sequences` to create the file `data/{source}.ndjson` or the +file must exist as a static file in the repo. + +Produces final output as + + sequences_ndjson = "data/sequences.ndjson" + +""" + +rule fetch_from_genbank: + output: + genbank_ndjson=temp("data/genbank.ndjson"), + params: + serotype_tax_id='186536', # Returns 3530 records, check if we need a more specific Taxon ID + csv_to_ndjson_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/csv-to-ndjson", + fetch_from_genbank_url="https://raw.githubusercontent.com/nextstrain/dengue/ca659008bfbe4b3f799e11ecd106a0b95977fe93/ingest/bin/fetch-from-genbank", + genbank_url_url="https://raw.githubusercontent.com/nextstrain/dengue/ca659008bfbe4b3f799e11ecd106a0b95977fe93/ingest/bin/genbank-url", # Update if dengue merged + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/csv-to-ndjson ]] || $download_cmd bin/csv-to-ndjson {params.csv_to_ndjson_url} + [[ -f bin/genbank-url ]] || $download_cmd bin/genbank-url {params.genbank_url_url} + [[ -f bin/fetch-from-genbank ]] || $download_cmd bin/fetch-from-genbank {params.fetch_from_genbank_url} + chmod +x bin/* + + # (3) Fetch the sequences + ./bin/fetch-from-genbank {params.serotype_tax_id} > {output.genbank_ndjson} + """ + + +def _get_all_sources(wildcards): + return [f"data/{source}.ndjson" for source in config["sources"]] + + +rule fetch_all_sequences: + input: + all_sources=_get_all_sources, + output: + sequences_ndjson=temp("data/sequences.ndjson"), + shell: + """ + cat {input.all_sources} > {output.sequences_ndjson} + """ diff --git a/ingest/workflow/snakemake_rules/slack_notifications.smk b/ingest/workflow/snakemake_rules/slack_notifications.smk new file mode 100644 index 0000000..88ed446 --- /dev/null +++ b/ingest/workflow/snakemake_rules/slack_notifications.smk @@ -0,0 +1,89 @@ +""" +This part of the workflow handles various Slack notifications. +Designed to be used internally by the Nextstrain team with hard-coded paths +to files on AWS S3. + +All rules here require two environment variables: + * SLACK_TOKEN + * SLACK_CHANNELS +""" +import os +import sys + +slack_envvars_defined = "SLACK_CHANNELS" in os.environ and "SLACK_TOKEN" in os.environ +if not slack_envvars_defined: + print( + "ERROR: Slack notifications require two environment variables: 'SLACK_CHANNELS' and 'SLACK_TOKEN'.", + file=sys.stderr, + ) + sys.exit(1) + +S3_SRC = "s3://nextstrain-data/files/workflows/ebola" + + +rule notify_on_genbank_record_change: + input: + genbank_ndjson="data/genbank.ndjson", + output: + touch("data/notify/genbank-record-change.done"), + params: + s3_src=S3_SRC, + notify_on_record_change_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/notify-on-record-change", + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/notify-on-record-change ]] || $download_cmd bin/notify-on-record-change {params.notify_on_record_change_url} + chmod +x bin/* + + # (3) Run the script + ./bin/notify-on-record-change {input.genbank_ndjson} {params.s3_src:q}/genbank.ndjson.xz Genbank + """ + + +rule notify_on_metadata_diff: + input: + metadata="data/metadata.tsv", + output: + touch("data/notify/metadata-diff.done"), + params: + s3_src=S3_SRC, + notify_on_diff_url = "https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/notify-on-diff", + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/notify-on-diff ]] || $download_cmd bin/notify-on-diff {params.notify_on_diff_url} + chmod +x bin/* + + # (3) Run the script + ./bin/notify-on-diff {input.metadata} {params.s3_src:q}/metadata.tsv.gz + """ + + +onstart: + shell("./bin/notify-on-job-start") + + +onerror: + shell("./bin/notify-on-job-fail") diff --git a/ingest/workflow/snakemake_rules/transform.smk b/ingest/workflow/snakemake_rules/transform.smk new file mode 100644 index 0000000..0817ece --- /dev/null +++ b/ingest/workflow/snakemake_rules/transform.smk @@ -0,0 +1,183 @@ +""" +This part of the workflow handles transforming the data into standardized +formats and expects input file + + sequences_ndjson = "data/sequences.ndjson" + +This will produce output files as + + metadata = "data/metadata.tsv" + sequences = "data/sequences.fasta" + +Parameters are expected to be defined in `config.transform`. +""" + + +rule fetch_general_geolocation_rules: + output: + general_geolocation_rules=temp("data/general-geolocation-rules.tsv"), + params: + geolocation_rules_url=config["transform"]["geolocation_rules_url"], + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Fetch general geolocation rules + $download_cmd {output.general_geolocation_rules} {params.geolocation_rules_url} + """ + + +rule concat_geolocation_rules: + input: + general_geolocation_rules="data/general-geolocation-rules.tsv", + local_geolocation_rules=config["transform"]["local_geolocation_rules"], + output: + all_geolocation_rules=temp("data/all-geolocation-rules.tsv"), + shell: + """ + cat {input.general_geolocation_rules} {input.local_geolocation_rules} >> {output.all_geolocation_rules} + """ + + +rule transform: + input: + sequences_ndjson="data/sequences.ndjson", + all_geolocation_rules="data/all-geolocation-rules.tsv", + annotations=config["transform"]["annotations"], + output: + metadata=temp("data/raw_metadata.tsv"), + sequences="data/sequences.fasta", + log: + "logs/transform.txt", + params: + field_map=config["transform"]["field_map"], + strain_regex=config["transform"]["strain_regex"], + strain_backup_fields=config["transform"]["strain_backup_fields"], + date_fields=config["transform"]["date_fields"], + expected_date_formats=config["transform"]["expected_date_formats"], + articles=config["transform"]["titlecase"]["articles"], + abbreviations=config["transform"]["titlecase"]["abbreviations"], + titlecase_fields=config["transform"]["titlecase"]["fields"], + authors_field=config["transform"]["authors_field"], + authors_default_value=config["transform"]["authors_default_value"], + abbr_authors_field=config["transform"]["abbr_authors_field"], + annotations_id=config["transform"]["annotations_id"], + metadata_columns=config["transform"]["metadata_columns"], + id_field=config["transform"]["id_field"], + sequence_field=config["transform"]["sequence_field"], + transform_field_names_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-field-names", + transform_string_fields_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-string-fields", + transform_strain_names_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-strain-names", + transform_date_fields_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-date-fields", + transform_genbank_location_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-genbank-location", + transform_authors_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/transform-authors", + apply_geolocation_rules_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/apply-geolocation-rules", + merge_user_metadata_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/merge-user-metadata", + ndjson_to_tsv_and_fasta_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/ndjson-to-tsv-and-fasta", + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/transform-field-names ]] || $download_cmd bin/transform-field-names {params.transform_field_names_url} + [[ -f bin/transform-string-fields ]] || $download_cmd bin/transform-string-fields {params.transform_string_fields_url} + [[ -f bin/transform-strain-names ]] || $download_cmd bin/transform-strain-names {params.transform_strain_names_url} + [[ -f bin/transform-date-fields ]] || $download_cmd bin/transform-date-fields {params.transform_date_fields_url} + [[ -f bin/transform-genbank-location ]] || $download_cmd bin/transform-genbank-location {params.transform_genbank_location_url} + [[ -f bin/transform-authors ]] || $download_cmd bin/transform-authors {params.transform_authors_url} + [[ -f bin/apply-geolocation-rules ]] || $download_cmd bin/apply-geolocation-rules {params.apply_geolocation_rules_url} + [[ -f bin/merge-user-metadata ]] || $download_cmd bin/merge-user-metadata {params.merge_user_metadata_url} + [[ -f bin/ndjson-to-tsv-and-fasta ]] || $download_cmd bin/ndjson-to-tsv-and-fasta {params.ndjson_to_tsv_and_fasta_url} + chmod +x bin/* + + # (3) Transform the sequences + (cat {input.sequences_ndjson} \ + | ./bin/transform-field-names \ + --field-map {params.field_map} \ + | ./bin/transform-string-fields --normalize \ + | ./bin/transform-strain-names \ + --strain-regex {params.strain_regex} \ + --backup-fields {params.strain_backup_fields} \ + | ./bin/transform-date-fields \ + --date-fields {params.date_fields} \ + --expected-date-formats {params.expected_date_formats} \ + | ./bin/transform-genbank-location \ + | ./bin/transform-string-fields \ + --titlecase-fields {params.titlecase_fields} \ + --articles {params.articles} \ + --abbreviations {params.abbreviations} \ + | ./bin/transform-authors \ + --authors-field {params.authors_field} \ + --default-value {params.authors_default_value} \ + --abbr-authors-field {params.abbr_authors_field} \ + | ./bin/apply-geolocation-rules \ + --geolocation-rules {input.all_geolocation_rules} \ + | ./bin/merge-user-metadata \ + --annotations {input.annotations} \ + --id-field {params.annotations_id} \ + | ./bin/ndjson-to-tsv-and-fasta \ + --metadata-columns {params.metadata_columns} \ + --metadata {output.metadata} \ + --fasta {output.sequences} \ + --id-field {params.id_field} \ + --sequence-field {params.sequence_field} ) 2>> {log} + """ + +rule post_process_metadata: + input: + metadata="data/raw_metadata.tsv", + output: + metadata="data/metadata.tsv", + params: + post_process_metadata_url="https://raw.githubusercontent.com/nextstrain/zika/2ae81db362fdeb5e832153dfaf2294fe971e638c/ingest/bin/post_process_metadata.py", + + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/post_process_metadata.py ]] || $download_cmd bin/post_process_metadata.py {params.post_process_metadata_url} + chmod +x bin/* + + # (3) Post-process the metadata + ./bin/post_process_metadata.py --metadata {input.metadata} --outfile {output.metadata} + """ + +rule compress: + input: + sequences="data/sequences.fasta", + metadata="data/metadata.tsv", + output: + sequences="data/sequences.fasta.zst", + metadata="data/metadata.tsv.zst", + shell: + """ + zstd -T0 -o {output.sequences} {input.sequences} + zstd -T0 -o {output.metadata} {input.metadata} + """ \ No newline at end of file diff --git a/ingest/workflow/snakemake_rules/trigger_rebuild.smk b/ingest/workflow/snakemake_rules/trigger_rebuild.smk new file mode 100644 index 0000000..f6fb5e5 --- /dev/null +++ b/ingest/workflow/snakemake_rules/trigger_rebuild.smk @@ -0,0 +1,37 @@ +""" +This part of the workflow handles triggering new Ebola builds after the +latest metadata TSV and sequence FASTA files have been uploaded to S3. + +Designed to be used internally by the Nextstrain team with hard-coded paths +to expected upload flag files. +""" + +rule trigger_build: + message: "Triggering monekypox builds via repository action type `rebuild`." + input: + metadata_upload = "data/upload/s3/metadata.tsv-to-metadata.tsv.gz.done", + fasta_upload = "data/upload/s3/sequences.fasta-to-sequences.fasta.xz.done" + output: + touch("data/trigger/rebuild.done") + params: + trigger_on_new_data_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/trigger-on-new-data" + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/trigger-on-new-data ]] || $download_cmd bin/trigger-on-new-data {params.trigger_on_new_data_url} + chmod +x bin/* + + # (3) Trigger the build + ./bin/trigger-on-new-data {input.metadata_upload} {input.fasta_upload} + """ diff --git a/ingest/workflow/snakemake_rules/upload.smk b/ingest/workflow/snakemake_rules/upload.smk new file mode 100644 index 0000000..acc4cf8 --- /dev/null +++ b/ingest/workflow/snakemake_rules/upload.smk @@ -0,0 +1,85 @@ +""" +This part of the workflow handles uploading files to a specified destination. + +Uses predefined wildcard `file_to_upload` determine input and predefined +wildcard `remote_file_name` as the remote file name in the specified destination. + +Produces output files as `data/upload/{upload_target_name}/{file_to_upload}-to-{remote_file_name}.done`. + +Currently only supports uploads to AWS S3, but additional upload rules can +be easily added as long as they follow the output pattern described above. +""" +import os + +slack_envvars_defined = "SLACK_CHANNELS" in os.environ and "SLACK_TOKEN" in os.environ +send_notifications = ( + config.get("send_slack_notifications", False) and slack_envvars_defined +) + + +def _get_upload_inputs(wildcards): + """ + If the file_to_upload has Slack notifications that depend on diffs with S3 files, + then we want the upload rule to run after the notification rule. + + This function is mostly to keep track of which flag files to expect for + the rules in `slack_notifications.smk`, so it only includes flag files if + `send_notifications` is True. + """ + file_to_upload = wildcards.file_to_upload + + inputs = { + "file_to_upload": f"data/{file_to_upload}", + } + + if send_notifications: + flag_file = [] + + if file_to_upload == "genbank.ndjson": + flag_file = "data/notify/genbank-record-change.done" + elif file_to_upload == "metadata.tsv": + flag_file = "data/notify/metadata-diff.done" + + inputs["notify_flag_file"] = flag_file + + return inputs + + +rule upload_to_s3: + input: + unpack(_get_upload_inputs), + output: + "data/upload/s3/{file_to_upload}-to-{remote_file_name}.done", + params: + quiet="" if send_notifications else "--quiet", + s3_dst=config["upload"].get("s3", {}).get("dst", ""), + cloudfront_domain=config["upload"].get("s3", {}).get("cloudfront_domain", ""), + upload_to_s3_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/upload-to-s3", + sha256sum_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/sha256sum", + cloudfront_invalidate_url="https://raw.githubusercontent.com/nextstrain/monkeypox/644d07ebe3fa5ded64d27d0964064fb722797c5d/ingest/bin/cloudfront-invalidate" + shell: + """ + # (1) Pick curl or wget based on availability + if which curl > /dev/null; then + download_cmd="curl -fsSL --output" + elif which wget > /dev/null; then + download_cmd="wget -O" + else + echo "ERROR: Neither curl nor wget found. Please install one of them." + exit 1 + fi + + # (2) Download the required scripts if not already present + [[ -d bin ]] || mkdir bin + [[ -f bin/upload-to-s3 ]] || $download_cmd bin/upload-to-s3 {params.upload_to_s3_url} + [[ -f bin/sha256sum ]] || $download_cmd bin/sha256sum {params.sha256sum_url} + [[ -f bin/cloudfront-invalidate ]] || $download_cmd bin/cloudfront-invalidate {params.cloudfront_invalidate_url} + chmod +x bin/* + + # (3) Run the upload script + ./bin/upload-to-s3 \ + {params.quiet} \ + {input.file_to_upload:q} \ + {params.s3_dst:q}/{wildcards.remote_file_name:q} \ + {params.cloudfront_domain} 2>&1 | tee {output} + """