我如何将Nextflow指向正确的Singularity二进制文件?

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英文:

How can I point Nextflow to the correct singularity binary?

问题

我有一个 Nextflow 工作流,我从一个 Conda 环境中运行它(该环境也安装了 singularity):

name: nextflow
channels:
  - conda-forge
  - bioconda
  - defaults
dependencies:
  - nextflow
  - singularity

nextflow.config 中的相关片段如下:

profiles {
    local {
        executor {
            name = "local"
        }
        includeConfig 'configs/local.config'
    }

    singularity {
        // 因为某些进程仍然需要 conda,所以需要包含
        conda.enabled = true
        timeout = '2 h'
        // singularity 特定配置
        singularity.enabled = true
        singularity.autoMounts = true
        includeConfig 'configs/singularity.config'
    }
}

在运行工作流之前,我激活了 nextflow Conda 环境,但是当我运行工作流时,我遇到了以下问题:

ERROR ~ Error executing process > 'preprocessing:fastpTrimming (5)'

Caused by:
  Process 'cleaning_stuff' terminated with an error exit status (127)

Command executed:

  command --option --another_option -out /some/path

Command exit status:
  127

Command output:
  (empty)

Command error:
  env: 'singularity': No such file or directory

Work dir:
  /path/to/work/dir

Tip: view the complete command output by changing to the process work dir and entering the command `cat .command.out`

 -- Check '.nextflow.log' file for details

似乎 Nextflow 无法“看到”通过 Conda 安装的 singularity。我该如何将 Nextflow 指向正确的 singularity 二进制文件?

英文:

I have a Nextflow workflow which I run from a conda environment (which also has singularity installed):

name: nextflow
channels:
  - conda-forge
  - bioconda
  - defaults
dependencies:
  - nextflow
  - singularity

The relevant snippet on nextflow.config is:

profiles {
    local {
        executor {
            name = "local"
        }
        includeConfig 'configs/local.config'
    }

    singularity {
        // Included since conda is still needed for some processes
        conda.enabled = true
        timeout = '2 h'
        // singularity-specific configs
        singularity.enabled = true
        singularity.autoMounts = true
        includeConfig 'configs/singularity.config'
    }
}

Before running my workflow, I activate the nextflow Conda environment. Still, when I run the workflow, I get:

ERROR ~ Error executing process > 'preprocessing:fastpTrimming (5)'

Caused by:
  Process `cleaning_stuff` terminated with an error exit status (127)

Command executed:

  command --option --another_option -out /some/path

Command exit status:
  127

Command output:
  (empty)

Command error:
  env: 'singularity': No such file or directory

Work dir:
  /path/to/work/dir

Tip: view the complete command output by changing to the process work dir and entering the command `cat .command.out`

 -- Check '.nextflow.log' file for details

It seems Nextflow doesn't “see” singularity installed via Conda.
How can I point Nextflow to the correct singularity binary?

答案1

得分: 1

我不认为在单个nextflow执行中混合使用Singularity容器和Conda环境是可能的。我认为在您的_singularity_配置文件中使用conda.enabled = true可能会在这里引起问题。如果您正在使用本地执行器并且尚未为所有流程指定container指令,请在本地_nextflow_ conda环境中安装所需的工具/包(对于这些工具/包您尚未有容器)。

请注意,Bioconda构建系统还构建Docker容器,并将它们作为Biocontainers项目的一部分上传到quay.io。由于Singularity/Apptainer可以拉取Docker容器,因此您可以在工作流中使用其中一个或多个这些容器。例如,在您的nextflow.config`中:

process {

    withName: 'fastpTrimming' {

        container = 'quay.io/biocontainers/fastp:0.23.4--hadf994f_2'
    }

    ...
}
英文:

I don't think it is possible to mix using Singularity containers and Conda environments within a single nextflow execution. I think using conda.enabled = true inside your singularity config profile might be problematic here. If you're using the local executor and don't yet specify a container directive for all processes, simply install the required tools/packages (for which you don't yet have containers for) into your local nextflow conda environment.

Note that the Bioconda build system also builds Docker containers and these are uploaded to quay.io as part of the Biocontainers project. Since Singularity/Apptainer can pull Docker containers, you may like to use one or more of these containers in your workflow. For example, in your nextflow.config`:

process {

    withName: 'fastpTrimming' {

        container = 'quay.io/biocontainers/fastp:0.23.4--hadf994f_2'
    }

    ...
}

</details>



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  • 本文由 发表于 2023年7月13日 18:45:11
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