Surface Nextclade versions

bin/generate-nextclade-version-json

@@ -0,0 +1,30 @@
+#!/bin/bash
+
+set -euo pipefail
+
+vendored="$(dirname "$0")"/../vendored
+
+
+nextclade="${1:?A path to the Nextclade executable is required as the first argument}"
+nextclade_dataset="${2:?A path to the Nextclade dataset is required as the second argument}"
+nextclade_tsv="${3:?A path to the Nextclade TSV is required as the third argument}"
+
+
+nextclade_version="$("$nextclade" --version)"
+dataset_pathogen_json="$(unzip -p "$nextclade_dataset" pathogen.json)"
+dataset_name="$(echo "$dataset_pathogen_json" | jq -r '.attributes.name')"
+dataset_version="$(echo "$dataset_pathogen_json" | jq -r '.version.tag')"
+nextclade_tsv_sha256sum="$("$vendored/sha256sum" < "$nextclade_tsv")"
+
+jq -c --null-input \
+    --arg NEXTCLADE_VERSION "$nextclade_version" \
+    --arg DATASET_NAME "$dataset_name" \
+    --arg DATASET_VERSION "$dataset_version" \
+    --arg NEXTCLADE_TSV_SHA256SUM "$nextclade_tsv_sha256sum" \
+    '{
+        "schema_version": "v1",
+        "nextclade_version": $NEXTCLADE_VERSION,
+        "nextclade_dataset_name": $DATASET_NAME,
+        "nextclade_dataset_version": $DATASET_VERSION,
+        "nextclade_tsv_sha256sum": $NEXTCLADE_TSV_SHA256SUM
+     }'

workflow/snakemake_rules/nextclade.smk

@@ -316,6 +316,26 @@ rule nextclade_info:
         """
 
 
+rule nextclade_version_json:
+    """
+    Generates a version JSON for the Nextclade TSV.
+    """
+    input:
+        nextclade_path="data/nextclade",
+        nextclade_dataset=lambda w: f"data/nextclade_data/sars-cov-2{w.reference.replace('_','-')}.zip",
+        nextclade_tsv=f"data/{database}/nextclade{{reference}}.tsv",
+    output:
+        nextclade_version_json=f"data/{database}/nextclade{{reference}}_version.json",
+    shell:
+        """
+        ./bin/generate-nextclade-version-json \
+            {input.nextclade_path} \
+            {input.nextclade_dataset} \
+            {input.nextclade_tsv} \
+            > {output.nextclade_version_json}
+        """
+
+
 rule combine_alignments:
     """
     Generating full alignment by combining newly aligned sequences with previous (cached) alignment
@@ -365,3 +385,27 @@ rule generate_metadata:
             --clade-legacy-mapping {input.clade_legacy_mapping} \
             -o {output.metadata}
         """
+
+
+rule metadata_version_json:
+    """
+    Generates the metadata version JSON by adding the metadata TSV sha256sum
+    to the Nextclade version JSON.
+
+    TODO: Merge the 21L Nextclade version JSON to track data provenence for
+    specific columns
+    """
+    input:
+        metadata=f"data/{database}/metadata.tsv",
+        nextclade_version_json=f"data/{database}/nextclade_version.json",
+    output:
+        metadata_version_json=f"data/{database}/metadata_version.json",
+    shell:
+        """
+        metadata_tsv_sha256sum="$(./vendored/sha256sum < {input.metadata})"
+
+        cat {input.nextclade_version_json} \
+            | jq -c --arg METADATA_TSV_SHA256SUM "$metadata_tsv_sha256sum" \
+                '.metadata_tsv_sha256sum = $METADATA_TSV_SHA256SUM' \
+                > {output.metadata_version_json}
+        """

workflow/snakemake_rules/upload.smk

@@ -33,6 +33,9 @@ def compute_files_to_upload():
                         "aligned.fasta.zst":           f"data/{database}/aligned.fasta",
                         "nextclade_21L.tsv.zst":       f"data/{database}/nextclade_21L.tsv",
 
+                        "nextclade_version.json":          f"data/{database}/nextclade_version.json",
+                        "nextclade_21L_version.json":      f"data/{database}/nextclade_21L_version.json",
+                        "metadata_version.json":           f"data/{database}/metadata_version.json",
                     }
     files_to_upload = files_to_upload | {
         f"translation_{gene}.fasta.zst" : f"data/{database}/translation_{gene}.fasta"