|
| 1 | +(package-page)= |
| 2 | + |
| 3 | +# Package Management |
| 4 | + |
| 5 | +:::{versionadded} 25.04.0-edge |
| 6 | +::: |
| 7 | + |
| 8 | +Nextflow provides a unified package management system that allows you to specify dependencies using different package managers through a single, consistent interface. This system supports conda, pixi, and other package managers through a plugin-based architecture. |
| 9 | + |
| 10 | +## Prerequisites |
| 11 | + |
| 12 | +The unified package management system requires: |
| 13 | +- The `preview.package` feature flag to be enabled |
| 14 | +- The appropriate package manager installed on your system (conda, pixi, etc.) |
| 15 | +- The corresponding Nextflow plugin for your chosen package manager |
| 16 | + |
| 17 | +## How it works |
| 18 | + |
| 19 | +Nextflow creates and activates the appropriate environment based on the package specifications and provider you choose. The system abstracts away the differences between package managers, providing a consistent interface regardless of the underlying tool. |
| 20 | + |
| 21 | +## Enabling Package Management |
| 22 | + |
| 23 | +The unified package management system is enabled using the `preview.package` feature flag: |
| 24 | + |
| 25 | +```groovy |
| 26 | +// nextflow.config |
| 27 | +nextflow.preview.package = true |
| 28 | +``` |
| 29 | + |
| 30 | +Alternatively, you can enable it with an environment variable: |
| 31 | + |
| 32 | +```bash |
| 33 | +export NXF_PREVIEW_PACKAGE=true |
| 34 | +``` |
| 35 | + |
| 36 | +Or using a command-line option when running Nextflow: |
| 37 | + |
| 38 | +```bash |
| 39 | +nextflow run workflow.nf -c <(echo 'nextflow.preview.package = true') |
| 40 | +``` |
| 41 | + |
| 42 | +## Basic Usage |
| 43 | + |
| 44 | +### Package Directive |
| 45 | + |
| 46 | +Use the `package` directive in your process definitions to specify dependencies: |
| 47 | + |
| 48 | +```nextflow |
| 49 | +process example { |
| 50 | + package "samtools=1.15 bcftools=1.15", provider: "conda" |
| 51 | + |
| 52 | + script: |
| 53 | + """ |
| 54 | + samtools --help |
| 55 | + bcftools --help |
| 56 | + """ |
| 57 | +} |
| 58 | +``` |
| 59 | + |
| 60 | +### Syntax |
| 61 | + |
| 62 | +The basic syntax for the package directive is: |
| 63 | + |
| 64 | +```nextflow |
| 65 | +package "<package_specification>", provider: "<provider_name>" |
| 66 | +``` |
| 67 | + |
| 68 | +- `<package_specification>`: Space-separated list of packages with optional version constraints |
| 69 | +- `<provider_name>`: The package manager to use (e.g., "conda", "pixi") |
| 70 | + |
| 71 | +### Multiple Packages |
| 72 | + |
| 73 | +You can specify multiple packages in a single directive: |
| 74 | + |
| 75 | +```nextflow |
| 76 | +process analysis { |
| 77 | + package "bwa=0.7.17 samtools=1.15 bcftools=1.15", provider: "conda" |
| 78 | + |
| 79 | + script: |
| 80 | + """ |
| 81 | + bwa mem ref.fa reads.fq | samtools view -bS - | bcftools view |
| 82 | + """ |
| 83 | +} |
| 84 | +``` |
| 85 | + |
| 86 | +### Version Constraints |
| 87 | + |
| 88 | +Different package managers support different version constraint syntaxes: |
| 89 | + |
| 90 | +**Conda:** |
| 91 | +```nextflow |
| 92 | +package "python=3.9 numpy>=1.20 pandas<2.0", provider: "conda" |
| 93 | +``` |
| 94 | + |
| 95 | +**Pixi:** |
| 96 | +```nextflow |
| 97 | +package "python=3.9 numpy>=1.20 pandas<2.0", provider: "pixi" |
| 98 | +``` |
| 99 | + |
| 100 | +## Configuration |
| 101 | + |
| 102 | +### Default Provider |
| 103 | + |
| 104 | +You can set a default provider in your configuration: |
| 105 | + |
| 106 | +```groovy |
| 107 | +// nextflow.config |
| 108 | +packages { |
| 109 | + provider = "conda" // Default provider for all package directives |
| 110 | +} |
| 111 | +``` |
| 112 | + |
| 113 | +### Provider-Specific Settings |
| 114 | + |
| 115 | +Each provider can have its own configuration: |
| 116 | + |
| 117 | +```groovy |
| 118 | +// nextflow.config |
| 119 | +conda { |
| 120 | + enabled = true |
| 121 | + cacheDir = "$HOME/.nextflow/conda" |
| 122 | + channels = ['conda-forge', 'bioconda'] |
| 123 | +} |
| 124 | +
|
| 125 | +packages { |
| 126 | + provider = "conda" |
| 127 | + conda { |
| 128 | + channels = ['conda-forge', 'bioconda', 'defaults'] |
| 129 | + useMicromamba = true |
| 130 | + } |
| 131 | + pixi { |
| 132 | + channels = ['conda-forge', 'bioconda'] |
| 133 | + } |
| 134 | +} |
| 135 | +``` |
| 136 | + |
| 137 | +## Advanced Usage |
| 138 | + |
| 139 | +### Environment Files |
| 140 | + |
| 141 | +You can specify environment files instead of package lists: |
| 142 | + |
| 143 | +```nextflow |
| 144 | +process fromFile { |
| 145 | + package file("environment.yml"), provider: "conda" |
| 146 | + |
| 147 | + script: |
| 148 | + """ |
| 149 | + python analysis.py |
| 150 | + """ |
| 151 | +} |
| 152 | +``` |
| 153 | + |
| 154 | +### Per-Provider Options |
| 155 | + |
| 156 | +Some providers support additional options: |
| 157 | + |
| 158 | +```nextflow |
| 159 | +process withOptions { |
| 160 | + package "biopython scikit-learn", |
| 161 | + provider: "conda", |
| 162 | + channels: ["conda-forge", "bioconda"] |
| 163 | + |
| 164 | + script: |
| 165 | + """ |
| 166 | + python -c "import Bio; import sklearn" |
| 167 | + """ |
| 168 | +} |
| 169 | +``` |
| 170 | + |
| 171 | +## Supported Providers |
| 172 | + |
| 173 | +### Conda |
| 174 | + |
| 175 | +The conda provider supports: |
| 176 | +- Package specifications with version constraints |
| 177 | +- Custom channels |
| 178 | +- Environment files (`.yml`, `.yaml`) |
| 179 | +- Micromamba as an alternative backend |
| 180 | + |
| 181 | +```nextflow |
| 182 | +process condaExample { |
| 183 | + package "bioconda::samtools=1.15 conda-forge::numpy", |
| 184 | + provider: "conda" |
| 185 | + |
| 186 | + script: |
| 187 | + """ |
| 188 | + samtools --version |
| 189 | + python -c "import numpy; print(numpy.__version__)" |
| 190 | + """ |
| 191 | +} |
| 192 | +``` |
| 193 | + |
| 194 | +### Pixi |
| 195 | + |
| 196 | +The pixi provider supports: |
| 197 | +- Package specifications compatible with pixi |
| 198 | +- Custom channels |
| 199 | +- Project-based environments |
| 200 | + |
| 201 | +```nextflow |
| 202 | +process pixiExample { |
| 203 | + package "samtools bcftools", provider: "pixi" |
| 204 | + |
| 205 | + script: |
| 206 | + """ |
| 207 | + samtools --version |
| 208 | + bcftools --version |
| 209 | + """ |
| 210 | +} |
| 211 | +``` |
| 212 | + |
| 213 | +## Migration from Legacy Directives |
| 214 | + |
| 215 | +### From conda directive |
| 216 | + |
| 217 | +**Before (legacy):** |
| 218 | +```nextflow |
| 219 | +process oldWay { |
| 220 | + conda "samtools=1.15 bcftools=1.15" |
| 221 | + |
| 222 | + script: |
| 223 | + "samtools --help" |
| 224 | +} |
| 225 | +``` |
| 226 | + |
| 227 | +**After (unified):** |
| 228 | +```nextflow |
| 229 | +process newWay { |
| 230 | + package "samtools=1.15 bcftools=1.15", provider: "conda" |
| 231 | + |
| 232 | + script: |
| 233 | + "samtools --help" |
| 234 | +} |
| 235 | +``` |
| 236 | + |
| 237 | +### Deprecation Warnings |
| 238 | + |
| 239 | +When the unified package management system is enabled, using the legacy `conda` directive will show a deprecation warning: |
| 240 | + |
| 241 | +``` |
| 242 | +WARN: The 'conda' directive is deprecated when preview.package is enabled. |
| 243 | + Use 'package "samtools=1.15", provider: "conda"' instead |
| 244 | +``` |
| 245 | + |
| 246 | +## Best Practices |
| 247 | + |
| 248 | +### 1. Pin Package Versions |
| 249 | + |
| 250 | +Always specify exact versions for reproducibility: |
| 251 | + |
| 252 | +```nextflow |
| 253 | +// Good |
| 254 | +package "samtools=1.15 bcftools=1.15", provider: "conda" |
| 255 | +
|
| 256 | +// Avoid (may cause reproducibility issues) |
| 257 | +package "samtools bcftools", provider: "conda" |
| 258 | +``` |
| 259 | + |
| 260 | +### 2. Use Appropriate Channels |
| 261 | + |
| 262 | +Specify the most appropriate channels for your packages: |
| 263 | + |
| 264 | +```nextflow |
| 265 | +process bioinformatics { |
| 266 | + package "bioconda::samtools conda-forge::pandas", provider: "conda" |
| 267 | + |
| 268 | + script: |
| 269 | + """ |
| 270 | + samtools --version |
| 271 | + python -c "import pandas" |
| 272 | + """ |
| 273 | +} |
| 274 | +``` |
| 275 | + |
| 276 | +### 3. Group Related Packages |
| 277 | + |
| 278 | +Keep related packages together in the same environment: |
| 279 | + |
| 280 | +```nextflow |
| 281 | +process genomicsAnalysis { |
| 282 | + package "samtools=1.15 bcftools=1.15 htslib=1.15", provider: "conda" |
| 283 | + |
| 284 | + script: |
| 285 | + """ |
| 286 | + # All tools are from the same suite and work well together |
| 287 | + samtools view input.bam | bcftools view |
| 288 | + """ |
| 289 | +} |
| 290 | +``` |
| 291 | + |
| 292 | +### 4. Test Your Environments |
| 293 | + |
| 294 | +Always test your package environments before deploying: |
| 295 | + |
| 296 | +```bash |
| 297 | +# Test package resolution |
| 298 | +nextflow run test.nf --dry-run -preview |
| 299 | + |
| 300 | +# Test actual execution |
| 301 | +nextflow run test.nf -resume |
| 302 | +``` |
| 303 | + |
| 304 | +## Troubleshooting |
| 305 | + |
| 306 | +### Common Issues |
| 307 | + |
| 308 | +**Package not found:** |
| 309 | +- Check package name spelling |
| 310 | +- Verify the package exists in specified channels |
| 311 | +- Try different channels or provider |
| 312 | + |
| 313 | +**Version conflicts:** |
| 314 | +- Relax version constraints if possible |
| 315 | +- Check for incompatible package combinations |
| 316 | +- Consider using a different provider |
| 317 | + |
| 318 | +**Slow environment creation:** |
| 319 | +- Use `useMicromamba = true` for faster conda operations |
| 320 | +- Consider pre-built environments |
| 321 | +- Use appropriate cache directories |
| 322 | + |
| 323 | +### Environment Inspection |
| 324 | + |
| 325 | +You can inspect created environments using provider-specific commands: |
| 326 | + |
| 327 | +```bash |
| 328 | +# For conda environments |
| 329 | +conda env list |
| 330 | +conda list -n nextflow-env-hash |
| 331 | + |
| 332 | +# For pixi environments |
| 333 | +pixi info |
| 334 | +``` |
| 335 | + |
| 336 | +## Integration with Wave |
| 337 | + |
| 338 | +The package management system integrates seamlessly with Wave containers. When Wave is enabled, environments are automatically containerized: |
| 339 | + |
| 340 | +```groovy |
| 341 | +// nextflow.config |
| 342 | +wave.enabled = true |
| 343 | +nextflow.preview.package = true |
| 344 | +``` |
| 345 | + |
| 346 | +```nextflow |
| 347 | +process containerized { |
| 348 | + package "samtools=1.15", provider: "conda" |
| 349 | + |
| 350 | + script: |
| 351 | + """ |
| 352 | + # This runs in a Wave container with samtools pre-installed |
| 353 | + samtools --version |
| 354 | + """ |
| 355 | +} |
| 356 | +``` |
| 357 | + |
| 358 | +## Limitations |
| 359 | + |
| 360 | +- The unified package management system is currently in preview |
| 361 | +- Plugin availability may vary for different providers |
| 362 | +- Some legacy features may not be fully supported yet |
| 363 | +- Provider-specific options may be limited |
| 364 | + |
| 365 | +## See Also |
| 366 | + |
| 367 | +- {ref}`conda-page` - Legacy conda directive documentation |
| 368 | +- {ref}`config-packages` - Package management configuration options |
| 369 | +- {ref}`wave-page` - Wave container integration |
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