biovault 0.1.6

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
use crate::cli::download_cache::{
    ChecksumPolicy, ChecksumPolicyType, DownloadCache, DownloadOptions,
};
use crate::cli::syft_url::SyftURL;
use crate::error::Error;
use anyhow::{anyhow, Context};
use colored::Colorize;
use dialoguer::Confirm;
use serde::{Deserialize, Serialize};
use serde_yaml::Value as YamlValue;
use std::collections::HashMap;
use std::fs;
use std::path::{Path, PathBuf};
use std::process::Command;
use tempfile::TempDir;
use tracing::{debug, info};

#[derive(Debug, Serialize, Deserialize)]
struct ProjectConfig {
    name: String,
    author: String,
    workflow: String,
    #[serde(default, deserialize_with = "deserialize_string_or_vec")]
    assets: Vec<String>,
    #[serde(default)]
    participants: Vec<String>,
}

fn deserialize_string_or_vec<'de, D>(deserializer: D) -> std::result::Result<Vec<String>, D::Error>
where
    D: serde::Deserializer<'de>,
{
    use serde::de::{self, Visitor};
    use std::fmt;

    struct StringOrVec;

    impl<'de> Visitor<'de> for StringOrVec {
        type Value = Vec<String>;

        fn expecting(&self, formatter: &mut fmt::Formatter) -> fmt::Result {
            formatter.write_str("string or list of strings")
        }

        fn visit_str<E>(self, value: &str) -> std::result::Result<Self::Value, E>
        where
            E: de::Error,
        {
            Ok(vec![value.to_string()])
        }

        fn visit_seq<A>(self, mut seq: A) -> std::result::Result<Self::Value, A::Error>
        where
            A: de::SeqAccess<'de>,
        {
            let mut vec = Vec::new();
            while let Some(value) = seq.next_element()? {
                vec.push(value);
            }
            Ok(vec)
        }
    }

    deserializer.deserialize_any(StringOrVec)
}

#[derive(Debug, Clone, Serialize, Deserialize)]
pub struct ParticipantData {
    #[serde(default)]
    pub id: String,
    pub ref_version: String,
    #[serde(rename = "ref")]
    pub ref_path: String,
    pub ref_index: String,
    pub aligned: String,
    pub aligned_index: String,
    #[serde(skip_serializing_if = "Option::is_none")]
    pub ref_b3sum: Option<String>,
    #[serde(skip_serializing_if = "Option::is_none")]
    pub ref_index_b3sum: Option<String>,
    #[serde(skip_serializing_if = "Option::is_none")]
    pub aligned_b3sum: Option<String>,
    #[serde(skip_serializing_if = "Option::is_none")]
    pub aligned_index_b3sum: Option<String>,
}

pub struct RunParams {
    pub project_folder: String,
    pub participant_source: String,
    pub test: bool,
    pub download: bool,
    pub dry_run: bool,
    pub with_docker: bool,
    pub work_dir: Option<String>,
    pub resume: bool,
}

enum ParticipantSource {
    LocalFile(PathBuf, Option<String>), // path, fragment
    SyftUrl(SyftURL),
    HttpUrl(String),
}

impl ParticipantSource {
    fn parse(source: &str) -> anyhow::Result<Self> {
        if source.starts_with("syft://") {
            Ok(ParticipantSource::SyftUrl(SyftURL::parse(source)?))
        } else if source.starts_with("http://") || source.starts_with("https://") {
            Ok(ParticipantSource::HttpUrl(source.to_string()))
        } else {
            // Local file path
            let (path, fragment) = if let Some(hash_pos) = source.find('#') {
                (
                    source[..hash_pos].to_string(),
                    Some(source[hash_pos + 1..].to_string()),
                )
            } else {
                (source.to_string(), None)
            };
            Ok(ParticipantSource::LocalFile(PathBuf::from(path), fragment))
        }
    }
}

async fn fetch_participant_file(
    source: &ParticipantSource,
) -> anyhow::Result<(String, Option<String>)> {
    match source {
        ParticipantSource::LocalFile(path, fragment) => {
            if !path.exists() {
                return Err(anyhow!("Local file not found: {:?}", path));
            }
            let content = fs::read_to_string(path)
                .with_context(|| format!("Failed to read file: {:?}", path))?;
            Ok((content, fragment.clone()))
        }
        ParticipantSource::SyftUrl(syft_url) => {
            // Convert to HTTP URL and fetch
            // For now, use the first relay server
            let http_url = syft_url.to_http_relay_url("syftbox.net");
            fetch_http_content(&http_url)
                .await
                .map(|content| (content, syft_url.fragment.clone()))
        }
        ParticipantSource::HttpUrl(url) => {
            let (main_url, fragment) = if let Some(hash_pos) = url.find('#') {
                (
                    url[..hash_pos].to_string(),
                    Some(url[hash_pos + 1..].to_string()),
                )
            } else {
                (url.clone(), None)
            };
            fetch_http_content(&main_url)
                .await
                .map(|content| (content, fragment))
        }
    }
}

async fn fetch_http_content(url: &str) -> anyhow::Result<String> {
    println!("Fetching participant file from: {}", url.cyan());

    let response = reqwest::get(url)
        .await
        .with_context(|| format!("Failed to fetch URL: {}", url))?;

    if !response.status().is_success() {
        return Err(anyhow!(
            "HTTP request failed with status: {}",
            response.status()
        ));
    }

    response
        .text()
        .await
        .with_context(|| format!("Failed to read response from: {}", url))
}

fn extract_participant_data(
    yaml_content: &str,
    fragment: Option<String>,
    use_mock: bool,
) -> anyhow::Result<(ParticipantData, Option<String>)> {
    let yaml: YamlValue =
        serde_yaml::from_str(yaml_content).with_context(|| "Failed to parse participant YAML")?;

    // Parse fragment to get participant ID
    let participant_id = if let Some(ref frag) = fragment {
        // Expected format: "participants.MADHAVA"
        if frag.starts_with("participants.") {
            frag.strip_prefix("participants.").unwrap().to_string()
        } else {
            return Err(anyhow!(
                "Invalid fragment format. Expected: participants.ID"
            ));
        }
    } else {
        return Err(anyhow!("No participant specified in fragment"));
    };

    // Navigate to the participant
    let participant_yaml = yaml
        .get("participants")
        .and_then(|p| p.get(&participant_id))
        .ok_or_else(|| anyhow!("Participant '{}' not found", participant_id))?;

    if use_mock {
        // Check for mock field
        if let Some(mock_yaml) = participant_yaml.get("mock") {
            // Try to find the mock data key by looking at the ref_version
            // This is a heuristic - we'll use ref_version to determine the mock key
            let mut mock_data: ParticipantData = serde_yaml::from_value(mock_yaml.clone())
                .with_context(|| "Failed to parse mock data")?;
            mock_data.id = participant_id;

            // Determine mock data key based on ref_version
            let mock_key = format!("mock_data_{}", mock_data.ref_version.to_lowercase());

            return Ok((mock_data, Some(mock_key)));
        } else {
            println!(
                "{}",
                "Warning: --test flag set but no mock data available for this participant".yellow()
            );
        }
    }

    // Parse regular participant data
    let mut participant: ParticipantData = serde_yaml::from_value(participant_yaml.clone())
        .with_context(|| format!("Failed to parse participant data for '{}'", participant_id))?;
    participant.id = participant_id;

    Ok((participant, None))
}

async fn ensure_files_exist(
    participant: &ParticipantData,
    auto_download: bool,
    source: &ParticipantSource,
    mock_key: Option<&str>,
) -> anyhow::Result<ParticipantData> {
    let mut local_participant = participant.clone();
    let mut cache = DownloadCache::new(None)?;

    // Get cache directory for checking
    let home = dirs::home_dir().ok_or_else(|| anyhow!("Could not determine home directory"))?;
    let cache_base = home.join(".biovault").join("data").join("cache");
    let downloads_base = home.join(".biovault").join("data").join("downloads");

    // Create downloads directory based on source
    let participant_downloads_dir = match source {
        ParticipantSource::SyftUrl(syft_url) => {
            // For Syft URLs: downloads/email/participant_id or downloads/email/mock_key
            if let Some(mock_key) = mock_key {
                // For mock data, use the mock key as the directory name
                downloads_base.join(&syft_url.email).join(mock_key)
            } else {
                downloads_base.join(&syft_url.email).join(&participant.id)
            }
        }
        ParticipantSource::HttpUrl(url) => {
            // Try to extract datasite from URL if possible
            if let Ok(parsed_url) = reqwest::Url::parse(url) {
                if let Some(host) = parsed_url.host_str() {
                    if host.contains("syftbox") && url.contains("/datasites/") {
                        // Extract email from URL like https://syftbox.net/datasites/madhava@openmined.org/...
                        if let Some(email_start) = url.find("/datasites/") {
                            let after_datasites = &url[email_start + 11..];
                            if let Some(slash_pos) = after_datasites.find('/') {
                                let email = &after_datasites[..slash_pos];
                                if let Some(mock_key) = mock_key {
                                    downloads_base.join(email).join(mock_key)
                                } else {
                                    downloads_base.join(email).join(&participant.id)
                                }
                            } else {
                                downloads_base.join(&participant.id)
                            }
                        } else {
                            downloads_base.join(&participant.id)
                        }
                    } else {
                        downloads_base.join(&participant.id)
                    }
                } else {
                    downloads_base.join(&participant.id)
                }
            } else {
                downloads_base.join(&participant.id)
            }
        }
        ParticipantSource::LocalFile(path, _) => {
            // For local files, use filename (without extension) and participant_id
            let filename = path.file_stem().and_then(|s| s.to_str()).unwrap_or("local");
            if let Some(mock_key) = mock_key {
                downloads_base.join(filename).join(mock_key)
            } else {
                downloads_base.join(filename).join(&participant.id)
            }
        }
    };

    fs::create_dir_all(&participant_downloads_dir)?;

    // Helper function to extract filename from URL
    fn extract_filename(url: &str) -> String {
        url.split('/').next_back().unwrap_or("unknown").to_string()
    }

    // List of files to check/download
    let files_to_check = vec![
        (
            "reference",
            participant.ref_path.clone(),
            participant.ref_b3sum.clone(),
        ),
        (
            "reference index",
            participant.ref_index.clone(),
            participant.ref_index_b3sum.clone(),
        ),
        (
            "aligned",
            participant.aligned.clone(),
            participant.aligned_b3sum.clone(),
        ),
        (
            "aligned index",
            participant.aligned_index.clone(),
            participant.aligned_index_b3sum.clone(),
        ),
    ];

    let mut downloads_needed = Vec::new();
    let mut cached_paths: HashMap<String, (PathBuf, String)> = HashMap::new();

    // First check what needs downloading
    for (name, url, b3sum) in &files_to_check {
        // Check if it's a URL
        if url.starts_with("http://") || url.starts_with("https://") {
            // Check cache first if we have a checksum
            if let Some(checksum) = b3sum {
                let cache_path = cache_base.join("by-hash").join(checksum);
                if cache_path.exists() {
                    debug!("Found {} in cache: {:?}", name, cache_path);
                    let filename = extract_filename(url);
                    cached_paths.insert(name.to_string(), (cache_path, filename));
                    continue;
                }
            }
            downloads_needed.push((name.to_string(), url.clone(), b3sum.clone()));
        } else {
            // Local file - check existence and keep path as-is
            if !Path::new(url).exists() {
                return Err(anyhow!("Local file not found: {} at {}", name, url));
            }
            // Keep local paths unchanged
            match *name {
                "reference" => local_participant.ref_path = url.clone(),
                "reference index" => local_participant.ref_index = url.clone(),
                "aligned" => local_participant.aligned = url.clone(),
                "aligned index" => local_participant.aligned_index = url.clone(),
                _ => {}
            }
        }
    }

    // Create symlinks for cached files with proper filenames
    if !cached_paths.is_empty() {
        println!("Using cached files with proper filenames:");
    }

    for (name, (cache_path, filename)) in cached_paths {
        let symlink_path = participant_downloads_dir.join(&filename);

        // Remove existing symlink if it exists
        if symlink_path.exists() || symlink_path.is_symlink() {
            fs::remove_file(&symlink_path).ok();
        }

        // Create symlink to cache
        #[cfg(unix)]
        {
            std::os::unix::fs::symlink(&cache_path, &symlink_path)
                .with_context(|| format!("Failed to create symlink for {}", name))?;
        }
        #[cfg(windows)]
        {
            std::os::windows::fs::symlink_file(&cache_path, &symlink_path)
                .with_context(|| format!("Failed to create symlink for {}", name))?;
        }

        println!("  • {} → {}", name.green(), symlink_path.display());

        // Update participant paths with symlink paths
        match name.as_str() {
            "reference" => local_participant.ref_path = symlink_path.to_string_lossy().to_string(),
            "reference index" => {
                local_participant.ref_index = symlink_path.to_string_lossy().to_string()
            }
            "aligned" => local_participant.aligned = symlink_path.to_string_lossy().to_string(),
            "aligned index" => {
                local_participant.aligned_index = symlink_path.to_string_lossy().to_string()
            }
            _ => {}
        }
    }

    if !downloads_needed.is_empty() {
        println!("\nThe following files need to be downloaded:");
        for (name, url, _) in &downloads_needed {
            println!("  - {} from {}", name.cyan(), url);
        }

        let should_download = if auto_download {
            true
        } else {
            Confirm::new()
                .with_prompt("Do you want to download these files?")
                .default(true)
                .interact()?
        };

        if !should_download {
            return Err(anyhow!("File downloads cancelled by user"));
        }

        // Download files and update paths
        for (name, url, b3sum) in &downloads_needed {
            println!("Downloading {}...", name.green());

            // Extract filename from URL
            let filename = extract_filename(url);
            let symlink_path = participant_downloads_dir.join(&filename);

            // Create a temporary path for download
            let temp_dir = tempfile::tempdir()?;
            let temp_path = temp_dir.path().join(&filename);

            // Set up download options
            let checksum_policy = if let Some(hash) = b3sum {
                ChecksumPolicy {
                    policy_type: ChecksumPolicyType::Required,
                    expected_hash: Some(hash.clone()),
                }
            } else {
                ChecksumPolicy {
                    policy_type: ChecksumPolicyType::Optional,
                    expected_hash: None,
                }
            };

            let options = DownloadOptions {
                checksum_policy,
                show_progress: true,
                cache_strategy: Default::default(),
            };

            // Download (will be stored in cache)
            let _downloaded_path = cache.download_with_cache(url, &temp_path, options).await?;

            // After download, the file is in cache. Create symlink with proper filename
            if let Some(hash) = b3sum {
                let cache_path = cache_base.join("by-hash").join(hash);

                // Remove existing symlink if it exists
                if symlink_path.exists() || symlink_path.is_symlink() {
                    fs::remove_file(&symlink_path).ok();
                }

                // Create symlink to cache
                #[cfg(unix)]
                {
                    std::os::unix::fs::symlink(&cache_path, &symlink_path)
                        .with_context(|| format!("Failed to create symlink for {}", name))?;
                }
                #[cfg(windows)]
                {
                    std::os::windows::fs::symlink_file(&cache_path, &symlink_path)
                        .with_context(|| format!("Failed to create symlink for {}", name))?;
                }

                println!("  • {} → {}", name.green(), symlink_path.display());
            } else {
                // If no checksum, copy the temp file to downloads directory
                fs::copy(&temp_path, &symlink_path)?;
                println!("  • {} → {}", name.green(), symlink_path.display());
            }

            // Update the participant data with symlink paths
            match name.as_str() {
                "reference" => {
                    local_participant.ref_path = symlink_path.to_string_lossy().to_string()
                }
                "reference index" => {
                    local_participant.ref_index = symlink_path.to_string_lossy().to_string()
                }
                "aligned" => local_participant.aligned = symlink_path.to_string_lossy().to_string(),
                "aligned index" => {
                    local_participant.aligned_index = symlink_path.to_string_lossy().to_string()
                }
                _ => {}
            }
        }
    }

    Ok(local_participant)
}

pub async fn execute(params: RunParams) -> anyhow::Result<()> {
    // Validate project directory
    let project_path = PathBuf::from(&params.project_folder);
    if !project_path.exists() {
        return Err(Error::ProjectFolderMissing(params.project_folder.clone()).into());
    }

    let project_yaml = project_path.join("project.yaml");
    if !project_yaml.exists() {
        return Err(Error::ProjectConfigMissing(params.project_folder.clone()).into());
    }

    let workflow_file = project_path
        .join("workflow.nf")
        .canonicalize()
        .context("Failed to resolve workflow.nf path")?;

    if !workflow_file.exists() {
        return Err(Error::WorkflowMissing(params.project_folder.clone()).into());
    }

    // Read project config
    let config_content =
        fs::read_to_string(&project_yaml).context("Failed to read project.yaml")?;
    let config: ProjectConfig =
        serde_yaml::from_str(&config_content).context("Failed to parse project.yaml")?;

    // Parse participant source
    let source = ParticipantSource::parse(&params.participant_source)?;

    // Fetch participant file
    let (yaml_content, fragment) = fetch_participant_file(&source).await?;

    // Extract participant data
    let (mut participant, mock_key) =
        extract_participant_data(&yaml_content, fragment, params.test)?;

    // Ensure all required files exist (download if needed)
    participant =
        ensure_files_exist(&participant, params.download, &source, mock_key.as_deref()).await?;

    // Get BioVault environment directory
    let home_dir = if let Ok(test_home) = std::env::var("BIOVAULT_TEST_HOME") {
        PathBuf::from(test_home)
    } else {
        dirs::home_dir().ok_or_else(|| anyhow!("Could not determine home directory"))?
    };
    let env_dir = home_dir.join(".biovault").join("env").join("default");

    // Check if templates exist
    let template_nf = env_dir.join("template.nf");
    let nextflow_config = env_dir.join("nextflow.config");

    if !template_nf.exists() || !nextflow_config.exists() {
        return Err(Error::TemplatesNotFound.into());
    }

    // Create temporary directory for execution
    let temp_dir = TempDir::new()?;

    // Copy template.nf and nextflow.config to temp directory
    let temp_template = temp_dir.path().join("template.nf");
    let temp_config = temp_dir.path().join("nextflow.config");
    fs::copy(&template_nf, &temp_template).context("Failed to copy template.nf")?;
    fs::copy(&nextflow_config, &temp_config).context("Failed to copy nextflow.config")?;

    // Determine assets directory
    let assets_dir = if !config.assets.is_empty() {
        project_path.join(&config.assets[0])
    } else {
        project_path.join("assets")
    };

    // Create assets directory if it doesn't exist
    if !assets_dir.exists() {
        fs::create_dir_all(&assets_dir)?;
    }

    // Get absolute path for assets directory
    let assets_dir = assets_dir
        .canonicalize()
        .context("Failed to resolve assets directory path")?;

    // Create results directory for this participant
    let results_dir = project_path.join("results").join(&participant.id);
    if !results_dir.exists() {
        fs::create_dir_all(&results_dir)?;
    }

    // Get absolute path for results directory
    let results_dir = results_dir
        .canonicalize()
        .context("Failed to resolve results directory path")?;

    info!(
        "Running workflow '{}' from project '{}'",
        config.workflow, config.name
    );

    println!("Processing participant: {}", participant.id.cyan());

    // Build Nextflow command
    let mut cmd = Command::new("nextflow");

    // Set working directory to project directory
    cmd.current_dir(&project_path);

    cmd.arg("run")
        .arg(&temp_template)
        .arg("--participant_id")
        .arg(&participant.id)
        .arg("--ref_version")
        .arg(&participant.ref_version)
        .arg("--ref")
        .arg(&participant.ref_path)
        .arg("--ref_index")
        .arg(&participant.ref_index)
        .arg("--aligned")
        .arg(&participant.aligned)
        .arg("--aligned_index")
        .arg(&participant.aligned_index)
        .arg("--work_flow_file")
        .arg(workflow_file.to_string_lossy().as_ref())
        .arg("--assets_dir")
        .arg(assets_dir.to_string_lossy().as_ref())
        .arg("--results_dir")
        .arg(results_dir.to_string_lossy().as_ref());

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

    if let Some(work_dir) = params.work_dir {
        cmd.arg("-work-dir");
        cmd.arg(work_dir);
    }

    // Docker/Singularity configuration
    if params.with_docker {
        cmd.arg("-with-docker");
    }

    // Add config file
    cmd.arg("-c").arg(&temp_config);

    // Print the command that will be executed
    println!("\n{}", "Nextflow command:".green().bold());

    // Build command string for display
    let mut cmd_str = String::from("nextflow");
    for arg in cmd.get_args() {
        cmd_str.push(' ');
        let arg_str = arg.to_string_lossy();
        // Quote arguments with spaces
        if arg_str.contains(' ') {
            cmd_str.push_str(&format!("'{}'", arg_str));
        } else {
            cmd_str.push_str(&arg_str);
        }
    }
    println!("{}\n", cmd_str.cyan());

    if params.dry_run {
        println!("{}", "[DRY RUN] Would execute the above command".yellow());
        return Ok(());
    }

    // Execute Nextflow
    println!("Executing Nextflow workflow...");
    let status = cmd.status().context("Failed to execute Nextflow")?;

    if !status.success() {
        return Err(anyhow!("Nextflow execution failed"));
    }

    println!("{}", "Workflow completed successfully!".green().bold());
    Ok(())
}