@platforma-open/milaboratories.mixcr-clonotyping-2.workflow 3.10.1 → 3.12.0

package/.turbo/turbo-build.log

@@ -1,6 +1,6 @@
  WARN  Issue while reading "/home/runner/work/mixcr-clonotyping/mixcr-clonotyping/.npmrc". Failed to replace env in config: ${NPMJS_TOKEN}
 
-> @platforma-open/milaboratories.mixcr-clonotyping-2.workflow@3.10.1 build /home/runner/work/mixcr-clonotyping/mixcr-clonotyping/workflow
+> @platforma-open/milaboratories.mixcr-clonotyping-2.workflow@3.12.0 build /home/runner/work/mixcr-clonotyping/mixcr-clonotyping/workflow
 > rm -rf dist && pl-tengo check && pl-tengo build
 
   info: Skipping unknown file type: test/columns.test.ts

package/CHANGELOG.md

@@ -1,5 +1,17 @@
 # @platforma-open/milaboratories.mixcr-clonotyping.workflow
 
+## 3.12.0
+
+### Minor Changes
+
+- fa19090: clonotypeLabel in export raw data
+
+## 3.11.0
+
+### Minor Changes
+
+- 58a43db: Better memory management in export
+
 ## 3.10.1
 
 ### Patch Changes

package/package.json

@@ -1,15 +1,15 @@
 {
   "name": "@platforma-open/milaboratories.mixcr-clonotyping-2.workflow",
-  "version": "3.10.1",
+  "version": "3.12.0",
   "description": "Tengo-based template",
   "dependencies": {
-    "@platforma-sdk/workflow-tengo": "^5.4.2",
+    "@platforma-sdk/workflow-tengo": "^5.5.3",
     "@platforma-open/milaboratories.software-mixcr": "4.7.0-233-develop"
   },
   "devDependencies": {
     "@milaboratories/ts-configs": "^1.0.6",
-    "@platforma-sdk/tengo-builder": "^2.3.2",
-    "@platforma-sdk/test": "^1.44.19",
+    "@platforma-sdk/tengo-builder": "^2.3.3",
+    "@platforma-sdk/test": "^1.45.3",
     "vitest": "~2.1.9",
     "typescript": "~5.6.3"
   },

package/src/aggregate-by-clonotype-key.tpl.tengo

@@ -32,9 +32,14 @@ self.body(func(inputs) {
 	inputMap := inputData.inputs()
 	numberOfSamples := len(inputMap)
 
+	memGB := int(math.max(numberOfSamples, 64))
+	if !is_undefined(inputs.perProcessMemGB) && inputs.perProcessMemGB > memGB {
+		memGB = inputs.perProcessMemGB
+	}
+
 	wf := pt.workflow().
 		inMediumQueue().
-		mem(int(math.max(numberOfSamples, 64)) * units.GiB).
+		mem(memGB * units.GiB).
 		cpu(int(math.max(numberOfSamples, 32)))
 
 	dataFrames := []

package/src/mixcr-export.tpl.tengo

@@ -8,6 +8,7 @@ slices := import("@platforma-sdk/workflow-tengo:slices")
 assets := import("@platforma-sdk/workflow-tengo:assets")
 exec := import("@platforma-sdk/workflow-tengo:exec")
 pt := import("@platforma-sdk/workflow-tengo:pt")
+clonotypeLabel := import(":clonotype-label")
 
 json := import("json")
 
@@ -23,7 +24,7 @@ self.body(func(inputs) {
 	isLibraryFileGzipped := params.isLibraryFileGzipped
 	chains := params.chains
 	exportArgs := params.exportArgs
-
+	
 	clonotypeKeyColumns := params.clonotypeKeyColumns
 	clonotypeKeyArgs := params.clonotypeKeyArgs
 
@@ -38,6 +39,18 @@ self.body(func(inputs) {
 	mainAbundanceColumnIsReadCount := params.mainAbundanceColumnIsReadCount == true
 	mainIsProductiveArgs := params.mainIsProductiveArgs
 
+	exportMemGB := undefined 
+	if !is_undefined(inputs.perProcessMemGB) {
+		exportMemGB = int(1.0*inputs.perProcessMemGB/4.0)
+		if exportMemGB < 12 {
+			exportMemGB = 12
+		}
+	} else {
+		exportMemGB = 12
+	}
+	ptMemGB := int(2.0*exportMemGB/3.0)
+	
+	
 	hashKeyDerivationExpressionPt := func(sourceColumns) {
 		return pt.concatStr(
 			slices.map(sourceColumns, func(colName) { return pt.col(colName).fillNull("") }),
@@ -50,7 +63,7 @@ self.body(func(inputs) {
 	createExport := func(additionalAction) {
 		mixcrCmdBuilder := exec.builder().
 			inMediumQueue().
-			ram("12GiB").
+			mem(string(exportMemGB) + "GiB").
 		    cpu(2).
 			printErrStreamToStdout().
 			dontSaveStdoutOrStderr().
@@ -104,7 +117,7 @@ self.body(func(inputs) {
 	// PTabler processing for main TSV output
 	wfMain := pt.workflow().
 		inMediumQueue().
-		mem("8GiB").
+		mem(ptMemGB).
 		cpu(2)
 
 	frameInputMap := {
@@ -121,6 +134,9 @@ self.body(func(inputs) {
 		hashKeyDerivationExpressionPt(clonotypeKeyColumns).alias("clonotypeKey")
 	)
 
+	// Generate clonotypeLabel (C-XXXXX or C-XXXXX-RANK) from clonotypeKey for bulk data
+	dfMain = clonotypeLabel.addClonotypeLabelColumnsPt(dfMain, "clonotypeKey", "clonotypeLabel", pt)
+
 	dfMain.save("output.tsv")
 	ptablerResultMain := wfMain.run()
 	processedTsv := ptablerResultMain.getFile("output.tsv")
@@ -144,7 +160,7 @@ self.body(func(inputs) {
 		// PTabler processing for single-cell TSV output
 		wfSingleCell := pt.workflow().
 			inMediumQueue().
-			mem("4GiB").
+			mem(ptMemGB).
 			cpu(2)
 
 		frameLoadOps := {

package/src/process.tpl.tengo

@@ -416,6 +416,15 @@ self.body(func(inputs) {
 						isLibraryFileGzipped: isLibraryFileGzipped
 					}, { removeUndefs: true }),
 					library: library
+				},
+				// by passing those parameters as meta fields we allow for recovery and deduplication mechanisms
+				// to pick up the results from executions with different values for CPU and Memory overrides
+				//
+				// Note: here we are passing the same parameters as in the main process step and will apply formula
+				// inside the export template to calculate memory requirements.
+				//
+				metaExtra: {
+					perProcessMemGB: perProcessMemGB
 				}
 			}
 		)
@@ -484,6 +493,15 @@ self.body(func(inputs) {
 						schemaPerClonotypeAggregates: columnsToSchema(columnsSpecPerClonotypeAggregates),
 						schemaPerSample: columnsToSchema(columnsSpecPerSample)
 					}
+				},
+				// by passing those parameters as meta fields we allow for recovery and deduplication mechanisms
+				// to pick up the results from executions with different values for CPU and Memory overrides
+				//
+				// Note: here we are passing the same parameters as in the main process step and will apply formula
+				// inside the agg template to calculate memory requirements.
+				//
+				metaExtra: {
+					perProcessMemGB: perProcessMemGB
 				}
 			}
 		)