Configure synthea-alldiseases for WES execution

- Rewrite params.json to match WES tool registry format
- Update main.nf to use Harbor container image
- Add k8s profile to nextflow.config for WES/Kubernetes execution
- Use s3://omic/eureka paths for output

main.nf

@@ -2,127 +2,69 @@
 
 nextflow.enable.dsl=2
 
-/*
- * Synthea Disease Module Generator Pipeline
- *
- * A Nextflow pipeline to generate and manage Synthea disease modules
- */
-
-// Load API key from .env file if it exists
-def envFile = file('.env')
-if (envFile.exists()) {
-    envFile.eachLine { line ->
-        def (key, value) = line.tokenize('=')
-        if (key && value && key.trim() == 'ANTHROPIC_API_KEY') {
-            params.anthropic_api_key = value.trim()
-        }
-    }
-}
-
 // Default parameters
-params.disease_name = null        // Disease name to generate patients for
-params.output_dir = "/mnt/OmicNAS/private/old/olamide/synthea/output/new"      // Output directory
-params.modules_dir = "src/main/resources/modules"    // Directory for module files
-params.population = 100           // Number of patients to generate
-params.gender = 0.5               // Decimal representing proportion female (0.0-1.0)
-params.min_age = 0                // Minimum age of generated patients
-params.max_age = 90               // Maximum age of generated patients
-params.seed = null                // Random seed for reproducibility
-params.help = false               // Show help message
-
-// Show help message
-if (params.help) {
-    log.info """
-    Synthea Patient Generator
-    ========================
-    Usage: nextflow run main.nf --disease_name "Disease Name"
-    
-    Required Arguments:
-      --disease_name    Disease name to generate patients for
-    
-    Optional Arguments:
-      --modules_dir     Module directory (default: modules)
-      --output_dir      Output directory (default: output)
-      --population      Number of patients (default: 100)
-      --gender          Gender ratio - female proportion 0.0-1.0 (default: 0.5)
-      --min_age         Minimum age (default: 0)
-      --max_age         Maximum age (default: 90)
-      --seed            Random seed (default: random)
-    """
-    exit 0
-}
+params.disease_name = null
+params.outdir = null
+params.population = 10
+params.gender = 0.5
+params.min_age = 0
+params.max_age = 90
+params.seed = null
 
 // Validate required parameters
-if (!params.disease_name && !params.help) {
+if (!params.disease_name) {
     error "Disease name is required. Please specify with --disease_name"
 }
 
-// Process to check if module exists and generate it if needed
-process checkAndGetModule {
-    container 'synthea-module-generator'
-    publishDir "${params.modules_dir}", mode: 'copy'
-    
-    input:
-        val diseaseName
-    
-    output:
-        path "*.json", emit: module_file
-    
-    script:
-    def moduleFilename = diseaseName.toLowerCase().replaceAll(' ', '_') + '.json'
-    def fullPath = "/app/src/main/resources/modules/${moduleFilename}"
-    """
-    echo "Looking for module at ${fullPath}"
-    if [ -f "${fullPath}" ]; then
-        echo "Module exists, copying..."
-        cp "${fullPath}" .
-    else
-        echo "Module not found, generating..."
-        python3 /app/module_generator/module_generator.py --disease "${diseaseName}" --output "${moduleFilename}"
-        if [ -f "${moduleFilename}" ]; then
-            echo "Successfully generated module"
-        else
-            echo "Error: Failed to generate module"
-            exit 1
-        fi
-    fi
-    """
+if (!params.outdir) {
+    error "Output directory is required. Please specify with --outdir"
 }
 
 // Process to generate synthetic patients
 process generatePatients {
-    container 'synthea-module-generator'
-    publishDir "${params.output_dir}/${diseaseName.toLowerCase().replaceAll(' ', '_')}", mode: 'copy'
-    
+    container 'harbor.cluster.omic.ai/omic/synthea-alldiseases:latest'
+    publishDir params.outdir, mode: 'copy'
+
     input:
         val diseaseName
-        path moduleFile
-    
+
     output:
-        path "m/*", optional: true
-        path "f/*", optional: true
-    
+        path "fhir/*.json", optional: true, emit: fhir_output
+        path "run.log", emit: log_file
+
     script:
     def moduleBasename = diseaseName.toLowerCase().replaceAll(' ', '_')
     def genderArg = params.gender < 0.5 ? "M" : (params.gender > 0.5 ? "F" : "B")
-    def seedValue = params.seed ?: new Random().nextInt(1000000)
+    def seedArg = params.seed ? "-s ${params.seed}" : ""
     """
-    # Copy module and run Synthea
-    cp "${moduleFile}" /app/modules/
-    cd /app && ./run_synthea -p ${params.population} -g ${genderArg} -m ${moduleBasename} -a ${params.min_age}-${params.max_age} -s ${seedValue}
-    
-    # Organize output by gender
-    mkdir -p m f
-    find /app/output/fhir -type f -name "*.json" ! -name "*hospital*" ! -name "*practitioner*" | xargs grep -l '"gender":"male"' | xargs -I{} cp {} m/
-    find /app/output/fhir -type f -name "*.json" ! -name "*hospital*" ! -name "*practitioner*" | xargs grep -l '"gender":"female"' | xargs -I{} cp {} f/
+    # Check if a custom module exists, otherwise use built-in Synthea modules
+    MODULE_FILE="/app/src/main/resources/modules/${moduleBasename}.json"
+    if [ -f "\${MODULE_FILE}" ]; then
+        echo "Found custom module: \${MODULE_FILE}" | tee run.log
+    else
+        echo "Using built-in Synthea modules for: ${diseaseName}" | tee run.log
+    fi
+
+    # Run Synthea patient generation
+    cd /app && ./run_synthea \
+        -p ${params.population} \
+        -g ${genderArg} \
+        -a ${params.min_age}-${params.max_age} \
+        ${seedArg} \
+        -- ${diseaseName} 2>&1 | tee -a run.log
+
+    # Collect FHIR output
+    mkdir -p fhir
+    if [ -d /app/output/fhir ]; then
+        cp /app/output/fhir/*.json fhir/ 2>/dev/null || true
+        echo "Copied \$(ls fhir/*.json 2>/dev/null | wc -l) FHIR bundles" | tee -a run.log
+    else
+        echo "Warning: No FHIR output generated" | tee -a run.log
+    fi
     """
 }
 
-// Define workflow
+// Workflow
 workflow {
-    // First check if the module exists
-    checkAndGetModule(params.disease_name)
-    
-    // Then generate patients
-    generatePatients(params.disease_name, checkAndGetModule.out.module_file)
+    generatePatients(params.disease_name)
 }

nextflow.config

@@ -1,54 +1,44 @@
-// Nextflow configuration file
 manifest {
-  description = 'Synthea Module Generator Pipeline'
+    name = 'synthea-alldiseases'
+    description = 'Synthea synthetic patient generator pipeline'
+    mainScript = 'main.nf'
+    version = '1.0.0'
 }
 
-// Load parameters from params.json
-def paramsJson = new File("$baseDir/params.json").text
-def paramsData = new groovy.json.JsonSlurper().parseText(paramsJson)
-
-// Keep work directories for debugging
-cleanup = false
-
-// Merge with defaults
 params {
-  local_output_dir = "$baseDir/local_output"
-  disease_name = paramsData.disease_name
-  modules_dir = paramsData.modules_dir ?: "/Users/richman/workspace/synthea-alldiseases/modules"
-  output_dir = paramsData.output_dir ?: "/mnt/OmicNAS/private/old/olamide/synthea/output/new" 
-  population = paramsData.population ?: 100
-  gender = paramsData.gender ?: 0.5
-  min_age = paramsData.min_age ?: 0
-  max_age = paramsData.max_age ?: 90
-  seed = paramsData.seed
-  generate_patients = paramsData.generate_patients ?: true
-  publish_dir = paramsData.publish_dir ?: "published_output"
-  // Additional params
-  max_cost = 5.0
-  timeout = 300
-  anthropic_api_key = null
-  batch_size = 1
-  help = false
-}
-
-docker {
-  enabled = true
-  runOptions = "-v $baseDir/$params.modules_dir:/app/src/main/resources/modules -v $baseDir/src/main/python:/app/src/main/python -v $baseDir/src/main/resources:/app/src/main/resources -v $baseDir/.env:/app/.env -v $baseDir/module_generator:/app/module_generator -v $baseDir/modules:/app/modules"
-}
-
-process {
-  container = 'synthea-module-generator'
-  containerOptions = "-e MODULES_DIR=/app/src/main/resources/modules -e PYTHONPATH=/app -e ANTHROPIC_API_KEY=${params.anthropic_api_key}"
-}
-
-trace {
-  enabled = true
-  overwrite = true
-  file = "$baseDir/trace.txt"
+    disease_name = null
+    outdir = null
+    population = 10
+    gender = 0.5
+    min_age = 0
+    max_age = 90
+    seed = null
 }
 
 profiles {
-  standard {
-    process.executor = 'local'
-  }
+    standard {
+        docker {
+            enabled = true
+            temp = 'auto'
+        }
+    }
+
+    k8s {
+        process {
+            executor = 'k8s'
+            container = 'harbor.cluster.omic.ai/omic/synthea-alldiseases:latest'
+        }
+        docker {
+            enabled = true
+        }
+        k8s {
+            storageClaimName = 'eureka-pvc'
+            storageMountPath = '/omic/eureka'
+        }
+    }
+}
+
+process {
+    cpus = 2
+    memory = '4 GB'
 }

params.json

@@ -1,14 +1,117 @@
 {
-  "disease_name": "Parkinson's Disease",
-  "modules_dir": "modules",
-  "output_dir": "/mnt/OmicNAS/private/old/olamide/synthea/output/new",
-  "generate_patients": true,
-  "population": 10,
-  "gender": 0.5,
-  "min_age": 0,
-  "max_age": 90,
-  "analyze_patient_data": false,
-  "report_format": "html",
-  "force_generate": false,
-  "publish_dir": "published_output"
+    "params": {
+        "disease_name": {
+            "type": "string",
+            "description": "Disease name to generate synthetic patients for",
+            "default": "Diabetes",
+            "required": true,
+            "pipeline_io": "parameter",
+            "var_name": "params.disease_name",
+            "examples": [
+                "Diabetes",
+                "Hypertension",
+                "Lung Cancer"
+            ],
+            "pattern": ".*",
+            "enum": [],
+            "validation": {},
+            "notes": "The disease name used to find or generate a Synthea disease module. Case-insensitive."
+        },
+        "population": {
+            "type": "integer",
+            "description": "Number of synthetic patients to generate",
+            "default": 10,
+            "required": false,
+            "pipeline_io": "parameter",
+            "var_name": "params.population",
+            "examples": [
+                10,
+                100,
+                1000
+            ],
+            "pattern": "^\\d+$",
+            "enum": [],
+            "validation": {
+                "min": 1,
+                "max": 10000
+            },
+            "notes": "Higher numbers take longer to generate."
+        },
+        "gender": {
+            "type": "number",
+            "description": "Proportion of female patients (0.0 = all male, 1.0 = all female)",
+            "default": 0.5,
+            "required": false,
+            "pipeline_io": "parameter",
+            "var_name": "params.gender",
+            "examples": [
+                0.5,
+                0.0,
+                1.0
+            ],
+            "pattern": "^[01]\\.?\\d*$",
+            "enum": [],
+            "validation": {
+                "min": 0.0,
+                "max": 1.0
+            },
+            "notes": "Decimal between 0.0 and 1.0 representing the proportion of female patients."
+        },
+        "min_age": {
+            "type": "integer",
+            "description": "Minimum age of generated patients",
+            "default": 0,
+            "required": false,
+            "pipeline_io": "parameter",
+            "var_name": "params.min_age",
+            "examples": [
+                0,
+                18,
+                40
+            ],
+            "pattern": "^\\d+$",
+            "enum": [],
+            "validation": {
+                "min": 0,
+                "max": 140
+            },
+            "notes": "Minimum patient age in years."
+        },
+        "max_age": {
+            "type": "integer",
+            "description": "Maximum age of generated patients",
+            "default": 90,
+            "required": false,
+            "pipeline_io": "parameter",
+            "var_name": "params.max_age",
+            "examples": [
+                90,
+                65,
+                100
+            ],
+            "pattern": "^\\d+$",
+            "enum": [],
+            "validation": {
+                "min": 1,
+                "max": 140
+            },
+            "notes": "Maximum patient age in years."
+        },
+        "outdir": {
+            "type": "folder",
+            "description": "Output directory for generated patient data",
+            "default": "s3://omic/eureka/synthea-alldiseases/output",
+            "required": true,
+            "pipeline_io": "output",
+            "var_name": "params.outdir",
+            "examples": [
+                "s3://omic/eureka/synthea-alldiseases/output",
+                "s3://omic/eureka/synthea-alldiseases/results"
+            ],
+            "pattern": ".*",
+            "enum": [],
+            "validation": {},
+            "notes": "Directory where generated FHIR patient bundles will be stored."
+        }
+    }
 }