biovault 0.1.95

A bioinformatics data vault CLI tool
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
use crate::error::Result;
use crate::project_spec::ProjectSpec;
use anyhow::Context;
use chrono::Local;
use colored::Colorize;
use serde_json::{json, Value as JsonValue};
use std::collections::{BTreeSet, HashMap};
use std::ffi::OsStr;
use std::fs::{self, OpenOptions};
use std::io::Write;
use std::path::{Path, PathBuf};
use std::process::Command;

fn append_desktop_log(message: &str) {
    if let Ok(path) = std::env::var("BIOVAULT_DESKTOP_LOG_FILE") {
        if path.is_empty() {
            return;
        }
        let path = PathBuf::from(path);
        if let Some(parent) = path.parent() {
            let _ = std::fs::create_dir_all(parent);
        }
        if let Ok(mut file) = OpenOptions::new().create(true).append(true).open(&path) {
            let timestamp = Local::now().format("%Y-%m-%dT%H:%M:%S%:z");
            let _ = writeln!(file, "[{}][INFO] {}", timestamp, message);
        }
    }
}

fn shell_quote(value: &OsStr) -> String {
    let s = value.to_string_lossy();
    if s.is_empty() {
        return "''".to_string();
    }
    if s.chars()
        .all(|c| c.is_ascii_alphanumeric() || "-_./:@".contains(c))
    {
        return s.into_owned();
    }
    let escaped = s.replace('\'', "'\"'\"'");
    format!("'{}'", escaped)
}

fn format_command(cmd: &Command) -> String {
    let mut parts = Vec::new();
    parts.push(shell_quote(cmd.get_program()));
    for arg in cmd.get_args() {
        parts.push(shell_quote(arg));
    }
    parts.join(" ")
}

fn build_augmented_path(cfg: &crate::config::Config) -> Option<String> {
    let mut entries = BTreeSet::new();
    for key in ["nextflow", "java", "docker"] {
        if let Some(bin_path) = cfg.get_binary_path(key) {
            if bin_path.is_empty() {
                continue;
            }
            if let Some(parent) = Path::new(&bin_path).parent() {
                entries.insert(parent.to_path_buf());
            }
        }
    }

    if entries.is_empty() {
        return None;
    }

    let mut paths: Vec<PathBuf> = entries.into_iter().collect();
    if let Some(existing) = std::env::var_os("PATH") {
        paths.extend(std::env::split_paths(&existing));
    }

    std::env::join_paths(paths)
        .ok()
        .and_then(|joined| joined.into_string().ok())
}

pub async fn execute_dynamic(
    project_folder: &str,
    args: Vec<String>,
    dry_run: bool,
    resume: bool,
    results_dir: Option<String>,
) -> Result<()> {
    let project_path = Path::new(project_folder);
    if !project_path.exists() {
        return Err(anyhow::anyhow!("Project folder does not exist: {}", project_folder).into());
    }

    let spec_path = project_path.join("project.yaml");
    if !spec_path.exists() {
        return Err(anyhow::anyhow!(
            "project.yaml not found in {}. Use 'bv project create' first.",
            project_folder
        )
        .into());
    }

    let spec = ProjectSpec::load(&spec_path)?;

    if spec.template.as_deref() != Some("dynamic-nextflow") {
        return Err(anyhow::anyhow!(
            "This project uses template '{}'. Only 'dynamic-nextflow' is supported by the new run system.",
            spec.template.as_deref().unwrap_or("(none)")
        ).into());
    }

    println!("🚀 Running project: {}", spec.name.bold());

    let parsed_args = parse_cli_args(&args)?;
    let nextflow_args = parsed_args.passthrough.clone();

    validate_no_clashes(&spec, &parsed_args)?;

    let inputs_json = build_inputs_json(&spec, &parsed_args, project_path)?;
    let mut params_json = build_params_json(&spec, &parsed_args)?;

    let assets_dir_path = project_path.join("assets");
    let assets_dir_abs = assets_dir_path
        .canonicalize()
        .unwrap_or_else(|_| assets_dir_path.clone());

    params_json
        .entry("assets_dir".to_string())
        .or_insert_with(|| json!(assets_dir_abs.to_string_lossy().to_string()));

    let results_path = results_dir.as_deref().unwrap_or("results");

    // Check user workflow exists
    let workflow_path = project_path.join(&spec.workflow);
    if !workflow_path.exists() {
        return Err(anyhow::anyhow!(
            "Workflow file not found: {}. Expected at: {}",
            spec.workflow,
            workflow_path.display()
        )
        .into());
    }

    // Load template from .biovault/env/{template_name}/ (security boundary)
    let biovault_home = crate::config::get_biovault_home()?;
    let template_name = spec.template.as_deref().unwrap_or("dynamic-nextflow");
    let env_dir = biovault_home.join("env").join(template_name);
    let template_path = env_dir.join("template.nf");

    if template_name == "dynamic-nextflow" {
        install_dynamic_template(&biovault_home)?;
    }

    if !template_path.exists() {
        return Err(anyhow::anyhow!(
            "Template not found: {}. Run 'bv init' to install templates.",
            template_path.display()
        )
        .into());
    }

    // Canonicalize paths for Nextflow
    let template_abs = template_path
        .canonicalize()
        .context("Failed to resolve template path")?;

    let workflow_abs = workflow_path
        .canonicalize()
        .context("Failed to resolve workflow path")?;

    let project_spec_abs = spec_path
        .canonicalize()
        .context("Failed to resolve project spec path")?;

    let inputs_json_str =
        serde_json::to_string(&inputs_json).context("Failed to encode inputs metadata to JSON")?;
    let params_json_str = serde_json::to_string(&params_json)
        .context("Failed to encode parameters metadata to JSON")?;

    let config = crate::config::get_config().ok();
    let nextflow_bin = config
        .as_ref()
        .and_then(|cfg| cfg.get_binary_path("nextflow"))
        .filter(|s| !s.is_empty())
        .unwrap_or_else(|| "nextflow".to_string());

    // Log environment details for debugging
    append_desktop_log(&format!(
        "[Pipeline] Using nextflow binary: {}",
        nextflow_bin
    ));

    // Log original PATH from environment
    if let Some(original_path) = std::env::var_os("PATH") {
        append_desktop_log(&format!(
            "[Pipeline] Original PATH from environment: {}",
            original_path.to_string_lossy()
        ));
    } else {
        append_desktop_log("[Pipeline] WARNING: No PATH environment variable found!");
    }

    let mut cmd = Command::new(&nextflow_bin);

    if let Some(cfg) = &config {
        // Log configured binary paths
        append_desktop_log("[Pipeline] Configured binary paths:");
        for binary in ["nextflow", "java", "docker"] {
            if let Some(path) = cfg.get_binary_path(binary) {
                append_desktop_log(&format!("  {} = {}", binary, path));
            } else {
                append_desktop_log(&format!("  {} = <not configured>", binary));
            }
        }

        if let Some(path_env) = build_augmented_path(cfg) {
            append_desktop_log(&format!(
                "[Pipeline] Final augmented PATH for nextflow: {}",
                path_env
            ));
            cmd.env("PATH", path_env);
        } else {
            append_desktop_log(
                "[Pipeline] WARNING: Could not build augmented PATH, using system PATH",
            );
        }
    } else {
        append_desktop_log("[Pipeline] WARNING: No config found, using system PATH");
    }

    cmd.arg("run").arg(&template_abs);

    if resume {
        cmd.arg("-resume");
    }

    for extra in &nextflow_args {
        cmd.arg(extra);
    }

    cmd.arg("--work_flow_file")
        .arg(&workflow_abs)
        .arg("--project_spec")
        .arg(&project_spec_abs)
        .arg("--inputs_json")
        .arg(inputs_json_str)
        .arg("--params_json")
        .arg(params_json_str)
        .arg("--results_dir")
        .arg(results_path);

    let display_cmd = format_command(&cmd);

    if dry_run {
        println!("\n🔍 Dry run - would execute:");
        println!("  {}", display_cmd.dimmed());
        append_desktop_log(&format!(
            "[Pipeline] (dry-run) Nextflow command: {}",
            display_cmd
        ));
        return Ok(());
    }

    println!("\n▶️  Executing Nextflow...\n");
    println!("  {}", display_cmd.dimmed());
    append_desktop_log(&format!("[Pipeline] Nextflow command: {}", display_cmd));

    let status = cmd
        .current_dir(project_path)
        .status()
        .context("Failed to execute nextflow")?;

    if !status.success() {
        append_desktop_log(&format!(
            "[Pipeline] Nextflow exited with status: {:?}",
            status.code()
        ));
        return Err(
            anyhow::anyhow!("Nextflow execution failed with code: {:?}", status.code()).into(),
        );
    }

    println!("\n✅ Workflow completed successfully!");
    append_desktop_log("[Pipeline] Workflow completed successfully!");
    Ok(())
}

#[derive(Debug)]
struct ParsedArgs {
    inputs: HashMap<String, InputArg>,
    params: HashMap<String, String>,
    passthrough: Vec<String>,
}

#[derive(Debug)]
struct InputArg {
    value: String,
    format_override: Option<String>,
}

fn parse_cli_args(args: &[String]) -> Result<ParsedArgs> {
    let mut inputs = HashMap::new();
    let mut params = HashMap::new();
    let mut format_overrides = HashMap::new();
    let mut passthrough = Vec::new();

    let mut i = 0;
    while i < args.len() {
        let arg = &args[i];

        if arg == "--" {
            passthrough.extend(args[i + 1..].iter().cloned());
            break;
        }

        if !arg.starts_with("--") {
            passthrough.push(arg.clone());
            i += 1;
            continue;
        }

        let key = arg.strip_prefix("--").unwrap();

        if key == "set" {
            if i + 1 >= args.len() {
                return Err(anyhow::anyhow!("Missing value for argument: {}", arg).into());
            }
            let value = &args[i + 1];

            let (target, val) = value.split_once('=').ok_or_else(|| {
                anyhow::anyhow!(
                    "Invalid --set assignment '{}'. Use inputs.name=value or params.name=value.",
                    value
                )
            })?;

            if let Some(input_name) = target.strip_prefix("inputs.") {
                inputs.insert(
                    input_name.to_string(),
                    InputArg {
                        value: val.to_string(),
                        format_override: None,
                    },
                );
            } else if let Some(param_name) = target.strip_prefix("params.") {
                params.insert(param_name.to_string(), val.to_string());
            } else if let Some(param_name) = target.strip_prefix("param.") {
                params.insert(param_name.to_string(), val.to_string());
            } else {
                return Err(anyhow::anyhow!(
                    "Unsupported --set target '{}'. Expected inputs.<name> or params.<name>.",
                    target
                )
                .into());
            }
            i += 2;
            continue;
        }

        if key.starts_with("param.") {
            if i + 1 >= args.len() {
                return Err(anyhow::anyhow!("Missing value for argument: {}", arg).into());
            }
            let value = &args[i + 1];
            let param_name = key.strip_prefix("param.").unwrap();
            params.insert(param_name.to_string(), value.clone());
            i += 2;
            continue;
        }

        if key.contains(".format") {
            if i + 1 >= args.len() {
                return Err(anyhow::anyhow!("Missing value for argument: {}", arg).into());
            }
            let value = &args[i + 1];
            let input_name = key.strip_suffix(".format").unwrap();
            format_overrides.insert(input_name.to_string(), value.clone());
            i += 2;
            continue;
        }

        if key.contains(".mapping.") {
            // Future: support inline mapping overrides
            return Err(
                anyhow::anyhow!("Inline mapping overrides not yet supported: {}", key).into(),
            );
        }

        match key {
            "results-dir" | "results_dir" => {
                i += 2;
                continue;
            }
            _ => {}
        }

        if i + 1 >= args.len() {
            return Err(anyhow::anyhow!("Missing value for argument: {}", arg).into());
        }

        let value = &args[i + 1];
        inputs.insert(
            key.to_string(),
            InputArg {
                value: value.clone(),
                format_override: None,
            },
        );

        i += 2;
    }

    for (input_name, format) in &format_overrides {
        if let Some(input) = inputs.get_mut(input_name) {
            input.format_override = Some(format.clone());
        }
    }

    Ok(ParsedArgs {
        inputs,
        params,
        passthrough,
    })
}

fn validate_no_clashes(spec: &ProjectSpec, parsed: &ParsedArgs) -> Result<()> {
    let input_names: Vec<&str> = spec.inputs.iter().map(|i| i.name.as_str()).collect();
    let output_names: Vec<&str> = spec.outputs.iter().map(|o| o.name.as_str()).collect();

    for param_name in parsed.params.keys() {
        if input_names.contains(&param_name.as_str()) {
            return Err(anyhow::anyhow!(
                "Parameter '{}' clashes with input name. Use --param.{} instead.",
                param_name,
                param_name
            )
            .into());
        }
        if output_names.contains(&param_name.as_str()) {
            return Err(anyhow::anyhow!(
                "Parameter '{}' clashes with output name. Use --param.{} instead.",
                param_name,
                param_name
            )
            .into());
        }
    }

    for input_name in parsed.inputs.keys() {
        if !input_names.contains(&input_name.as_str()) {
            println!(
                "⚠️  Warning: Unknown input '{}'. Expected inputs: {}",
                input_name.yellow(),
                input_names.join(", ")
            );
        }
    }

    Ok(())
}

fn build_inputs_json(
    spec: &ProjectSpec,
    parsed: &ParsedArgs,
    _project_path: &Path,
) -> Result<HashMap<String, JsonValue>> {
    let mut inputs_json = HashMap::new();

    for input_spec in &spec.inputs {
        if let Some(input_arg) = parsed.inputs.get(&input_spec.name) {
            let path_str = &input_arg.value;
            let path = Path::new(path_str);

            if !path.exists() {
                return Err(anyhow::anyhow!("Input file not found: {}", path_str).into());
            }

            let format = input_arg
                .format_override
                .as_deref()
                .or(input_spec.format.as_deref())
                .or_else(|| detect_format(path))
                .unwrap_or("unknown");

            inputs_json.insert(
                input_spec.name.clone(),
                json!({
                    "path": path.canonicalize()?.to_string_lossy().to_string(),
                    "type": input_spec.raw_type,
                    "format": format,
                    "mapping": input_spec.mapping,
                }),
            );
        } else if !input_spec.raw_type.ends_with('?') {
            return Err(
                anyhow::anyhow!("Required input '{}' not provided", input_spec.name).into(),
            );
        }
    }

    Ok(inputs_json)
}

fn build_params_json(
    spec: &ProjectSpec,
    parsed: &ParsedArgs,
) -> Result<HashMap<String, JsonValue>> {
    let mut params_json = HashMap::new();

    for param_spec in &spec.parameters {
        let value = if let Some(v) = parsed.params.get(&param_spec.name) {
            match param_spec.raw_type.as_str() {
                "Bool" => {
                    let bool_val = v.parse::<bool>().context(format!(
                        "Parameter '{}' expects Bool, got '{}'",
                        param_spec.name, v
                    ))?;
                    json!(bool_val)
                }
                "String" => json!(v),
                ty if ty.starts_with("Enum") => json!(v),
                unsupported => {
                    return Err(
                        anyhow::anyhow!("Unsupported parameter type: {}", unsupported).into(),
                    );
                }
            }
        } else if let Some(default) = &param_spec.default {
            serde_json::to_value(default)
                .context("Failed to convert default param value to JSON")?
        } else {
            continue;
        };

        params_json.insert(param_spec.name.clone(), value);
    }

    Ok(params_json)
}

fn detect_format(path: &Path) -> Option<&'static str> {
    path.extension()
        .and_then(|ext| ext.to_str())
        .and_then(|ext| match ext.to_lowercase().as_str() {
            "json" => Some("json"),
            "csv" => Some("csv"),
            "tsv" => Some("tsv"),
            "vcf" | "vcf.gz" => Some("vcf"),
            _ => None,
        })
}

fn install_dynamic_template(biovault_home: &Path) -> Result<()> {
    let env_dir = biovault_home.join("env").join("dynamic-nextflow");
    if !env_dir.exists() {
        fs::create_dir_all(&env_dir).context("Failed to create dynamic template directory")?;
    }

    let template_path = env_dir.join("template.nf");
    let template_contents = include_str!("../../templates/dynamic/template.nf");
    fs::write(&template_path, template_contents)
        .context("Failed to install dynamic template.nf")?;

    println!("📦 Dynamic template ready at {}", template_path.display());

    let config_path = env_dir.join("nextflow.config");
    let config_contents = r#"process.executor = 'local'
docker.enabled = true
docker.runOptions = '-u $(id -u):$(id -g)'
"#;
    fs::write(&config_path, config_contents)
        .context("Failed to install dynamic nextflow.config")?;

    Ok(())
}

#[cfg(test)]
mod tests {
    use super::*;
    use crate::project_spec::{InputSpec, ProjectSpec};
    use tempfile::TempDir;

    fn sample_project_spec() -> ProjectSpec {
        ProjectSpec {
            name: "test".to_string(),
            author: "author".to_string(),
            workflow: "workflow.nf".to_string(),
            template: Some("dynamic-nextflow".to_string()),
            version: None,
            assets: vec![],
            parameters: vec![],
            inputs: vec![
                InputSpec {
                    name: "samplesheet".to_string(),
                    raw_type: "File".to_string(),
                    description: None,
                    format: Some("csv".to_string()),
                    path: None,
                    mapping: None,
                },
                InputSpec {
                    name: "data_dir".to_string(),
                    raw_type: "Directory".to_string(),
                    description: None,
                    format: None,
                    path: None,
                    mapping: None,
                },
            ],
            outputs: vec![],
        }
    }

    #[test]
    fn build_inputs_json_handles_file_and_directory() {
        let tmp = TempDir::new().unwrap();
        let file_path = tmp.path().join("participants.csv");
        std::fs::write(&file_path, "id,path\n1,a.txt\n").unwrap();
        let dir_path = tmp.path().join("data");
        std::fs::create_dir_all(&dir_path).unwrap();

        let parsed = ParsedArgs {
            inputs: HashMap::from([
                (
                    "samplesheet".to_string(),
                    InputArg {
                        value: file_path.to_string_lossy().to_string(),
                        format_override: None,
                    },
                ),
                (
                    "data_dir".to_string(),
                    InputArg {
                        value: dir_path.to_string_lossy().to_string(),
                        format_override: None,
                    },
                ),
            ]),
            params: HashMap::new(),
            passthrough: Vec::new(),
        };

        let project_spec = sample_project_spec();
        let inputs = build_inputs_json(&project_spec, &parsed, tmp.path()).unwrap();

        let sheet_entry = inputs.get("samplesheet").expect("samplesheet entry");
        assert_eq!(sheet_entry["type"], json!("File"));
        assert_eq!(sheet_entry["format"], json!("csv"));
        let sheet_path = sheet_entry["path"].as_str().unwrap();
        assert_eq!(
            sheet_path,
            file_path.canonicalize().unwrap().to_string_lossy()
        );

        let dir_entry = inputs.get("data_dir").expect("data_dir entry");
        assert_eq!(dir_entry["type"], json!("Directory"));
        let dir_json_path = dir_entry["path"].as_str().unwrap();
        assert_eq!(
            dir_json_path,
            dir_path.canonicalize().unwrap().to_string_lossy()
        );
    }

    #[test]
    fn parse_cli_args_supports_set_inputs_and_params() {
        let args = vec![
            "--set".to_string(),
            "inputs.samplesheet=/tmp/sheet.csv".to_string(),
            "--set".to_string(),
            "params.threshold=0.5".to_string(),
        ];

        let parsed = parse_cli_args(&args).expect("parse --set inputs");

        let sheet = parsed
            .inputs
            .get("samplesheet")
            .expect("samplesheet input parsed");
        assert_eq!(sheet.value, "/tmp/sheet.csv");

        let threshold = parsed
            .params
            .get("threshold")
            .expect("param threshold parsed");
        assert_eq!(threshold, "0.5");
        assert!(parsed.passthrough.is_empty());
    }

    #[test]
    fn parse_cli_args_ignores_results_dir() {
        let args = vec![
            "--results-dir".to_string(),
            "custom_results".to_string(),
            "--samplesheet".to_string(),
            "/tmp/sheet.csv".to_string(),
        ];

        let parsed = parse_cli_args(&args).unwrap();
        assert!(parsed.inputs.contains_key("samplesheet"));
        assert!(!parsed.inputs.contains_key("results-dir"));
        assert!(parsed.passthrough.is_empty());
    }

    #[test]
    fn parse_cli_args_captures_nextflow_flags() {
        let args = vec![
            "--samplesheet".to_string(),
            "/tmp/sheet.csv".to_string(),
            "-with-singularity".to_string(),
            "-profile".to_string(),
            "docker".to_string(),
        ];

        let parsed = parse_cli_args(&args).expect("parse passthrough flags");
        assert_eq!(
            parsed.passthrough,
            vec![
                "-with-singularity".to_string(),
                "-profile".to_string(),
                "docker".to_string()
            ]
        );
    }
}