From 1fa3a484e5b312ba9457a8278002a74c9f5543a2 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 17 Jul 2026 16:50:09 -0300 Subject: [PATCH 01/59] docs: document datasync pipeline --- README.md | 74 +++++++++------ docs/output.md | 97 ++++++++++++++------ docs/usage.md | 237 ++++++++++++++++--------------------------------- 3 files changed, 191 insertions(+), 217 deletions(-) diff --git a/README.md b/README.md index 1c76aa4..c899b6e 100644 --- a/README.md +++ b/README.md @@ -21,52 +21,68 @@ ## Introduction -[WIP] WORK IN PROGRESS AND NOT YET STABLE - DO NOT USE FOR PRODUCTIVE SETTINGS YET +> [!WARNING] +> nf-core/datasync is under active development and is not yet recommended for production data transfers. Validate its behaviour with representative data before relying on it. + +**nf-core/datasync** is a Nextflow pipeline for copying files and directories between storage locations and documenting their integrity. For every row in an input samplesheet, the pipeline: -**nf-core/datasync** is a system operation pipeline that provides several workflows for handling system operation / automation tasks that are commonly helpful for various tasks in large data processing / analysis facilities. This includes: +1. validates the source against a supplied MD5 and/or SHA-256 checksum manifest; +2. copies the source to the requested destination with [rclone](https://rclone.org/); +3. compares the copied data with the source using `rclone check`; and +4. produces detailed rclone status files and a consolidated MultiQC report. -- Data Synchronization & Checksum generation - - Configurable: Can provide YAML file which files to include or exclude from sync - - Checksum backend: Can configure which backend to use for checksum generation (e.g. sha256sum, md5, ...) - - Configurable whether to include (sub-) folders in the sync or not (search for checkpoint files, e.g. has to have DEMUX_DONE that signals a demultiplexing run was finished & successfully copied) -- Data Integrity validation - - Provided with a directory to check, can validate that file(s) found are matching checksums from Synchronization subworkflow -- Data Archival & Deletion - - Can check source and target location for existence of file(s) and decide based on user configurable rules whether files can be considered archived - - Timestamp older than X days - - Checksums match Integrity validation report - - Create empty files to make it obvious that archival was performed - - Optionally: Delete files or create list of files to be deleted for manual deletion process +Sources may be local paths or HTTP(S) URLs. Destinations can be local paths or rclone-supported remote storage (for example S3 or Azure Blob Storage); authenticated remotes can be defined with `--rclone_config`. -The pipeline can be configured by users to execute any of the aforementioned subworkflows and then produces a report using MultiQC custom content that also serves as a report of _what_ was done by the pipeline for documentation purposes. +```mermaid +graph LR + A[Samplesheet] --> B[Validate supplied checksums] + A --> C[Copy with rclone] + C --> D[Compare source and destination] + B --> E[MultiQC integrity report] + D --> E +``` -## Usage +## Quick start > [!NOTE] -> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/get_started/environment_setup/overview) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/get_started/run-your-first-pipeline) with `-profile test` before running the workflow on actual data. +> If you are new to Nextflow and nf-core, see the [nf-core environment setup guide](https://nf-co.re/docs/get_started/environment_setup/overview). Nextflow 25.10.4 or later is required. -Now, you can run the pipeline using: +Create a samplesheet containing one transfer per row: + +```csv +sample,input,output_path,checksum_md5,checksum_sha +run_001,/data/run_001,s3://archive/runs,/data/manifests/run_001_md5.tsv, +reference,https://example.org/reference.fa,/data/references,,/data/manifests/reference_sha256.tsv +``` + +Then launch the pipeline with a container profile: ```bash nextflow run nf-core/datasync \ - -profile \ - --input samplesheet.csv \ - --outdir - --sync - --sync_backend 'sha256' - --sync_done true #Creates SYNC_DONE file when done in each folder + -r \ + -profile docker \ + --input samplesheet.csv \ + --outdir results \ + --rclone_config /path/to/rclone.conf ``` +`--rclone_config` is optional when all paths are accessible without an rclone remote configuration. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. + > [!WARNING] -> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/running/run-pipelines#using-parameter-files). +> Provide pipeline parameters on the command line or with Nextflow's `-params-file` option. Do not put pipeline parameters in a configuration supplied with `-c`; custom configuration files are intended for executor and resource settings. -For more details and further functionality, please refer to the [usage documentation](https://nf-co.re/datasync/usage) and the [parameter documentation](https://nf-co.re/datasync/parameters). +See the [usage documentation](docs/usage.md) for samplesheet rules, destination semantics, remote configuration, and reproducible execution. The complete generated parameter reference is available on the [nf-core pipeline page](https://nf-co.re/datasync/parameters). ## Pipeline output -To see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/datasync/results) tab on the nf-core website pipeline page. -For more details about the output files and reports, please refer to the -[output documentation](https://nf-co.re/datasync/output). +Results are written below `--outdir`: + +- `rclone/` contains a copy log and integrity status files for each samplesheet row; +- `multiqc/multiqc_report.html` provides the consolidated transfer and checksum summary; +- `multiqc/multiqc_data/` contains machine-readable report data; and +- `pipeline_info/` contains software versions and Nextflow execution reports. + +The transferred data itself is written directly to each row's `output_path`, not below `--outdir` unless that is the destination you selected. See the [output documentation](docs/output.md) for file names and status-code interpretation. ## Credits diff --git a/docs/output.md b/docs/output.md index 1b7eb8b..50ea1e3 100644 --- a/docs/output.md +++ b/docs/output.md @@ -2,60 +2,99 @@ ## Introduction -This document describes the output produced by the pipeline. Most of the plots are taken from the MultiQC report, which summarises results at the end of the pipeline. +This document describes the reports produced by nf-core/datasync. Paths below are relative to the directory supplied with `--outdir`. + +> [!IMPORTANT] +> The copied payload is written to each samplesheet row's `output_path`. It is not placed in `--outdir` unless `output_path` explicitly points there. + +## Output overview + +```text +/ +├── rclone/ +│ ├── -rclone-copy.log +│ ├── .combined.txt +│ ├── .match.txt +│ ├── .differ.txt +│ ├── .missing_on_dst.txt +│ ├── .missing_on_src.txt +│ └── .error.txt +├── multiqc/ +│ ├── multiqc_report.html +│ └── multiqc_data/ +└── pipeline_info/ + ├── nf_core_datasync_software_mqc_versions.yml + └── execution_* / pipeline_dag_* +``` + +## Rclone transfer and integrity reports -The directories listed below will be created in the results directory after the pipeline has finished. All paths are relative to the top-level results directory. - - +
+Output files -## Pipeline overview +- `rclone/` + - `-rclone-copy.log`: informational log from the copy operation. + - `.combined.txt`: combined comparison status, one path per line. + - `.match.txt`: paths whose content matched (`=`). + - `.differ.txt`: paths present on both sides but with different content (`*`). + - `.missing_on_dst.txt`: paths found in the source or manifest but absent from the checked data (`-`). + - `.missing_on_src.txt`: paths found in the checked data but absent from the source or manifest (`+`). + - `.error.txt`: paths that could not be read or hashed (`!`). -The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes data using the following steps: +
-- [FastQC](#fastqc) - Raw read QC -- [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline -- [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution +Two integrity stages create reports: -### FastQC +1. **Pre-copy checksum validation** uses each supplied MD5 and/or SHA-256 manifest to check the source. +2. **Post-copy validation** compares the source with the destination after the copy task finishes. -
-Output files +Both stages use the same `.*.txt` naming convention and publish to `rclone/`. When a row supplies a checksum manifest, similarly named pre-copy and post-copy files may target the same published path; use the consolidated MultiQC sections for the stage-specific summary and retain the Nextflow work directory if both raw report sets must be audited independently. -- `fastqc/` - - `*_fastqc.html`: FastQC report containing quality metrics. - - `*_fastqc.zip`: Zip archive containing the FastQC report, tab-delimited data file and plot images. +The combined files use rclone's one-character status prefixes: -
+| Prefix | Meaning | Action | +| ------ | ------------------------ | --------------------------------------------------------------------------------------------------------------------------- | +| `=` | File matches | No action required. | +| `-` | Missing from destination | Investigate an incomplete source checksum set or transfer. | +| `+` | Missing from source | Review unexpected destination content. The post-copy check uses `--one-way`, so destination-only files are tolerated there. | +| `*` | Content differs | Re-copy or investigate source/destination mutation. | +| `!` | Read/hash error | Inspect permissions, credentials, connectivity, and the copy log. | -[FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/). +Empty category files mean that rclone reported no entries in that category. The commands are designed to preserve these reports rather than terminate the whole workflow on comparison differences. Always inspect the reports; workflow success alone is not an integrity guarantee. -### MultiQC +## MultiQC
Output files - `multiqc/` - - `multiqc_report.html`: a standalone HTML file that can be viewed in your web browser. - - `multiqc_data/`: directory containing parsed statistics from the different tools used in the pipeline. - - `multiqc_plots/`: directory containing static images from the report in various formats. + - `multiqc_report.html`: standalone report viewable in a browser. + - `multiqc_data/`: machine-readable data, logs, source inventory, software versions, and parsed rclone tables.
-[MultiQC](http://multiqc.info) is a visualization tool that generates a single HTML report summarising all samples in your project. Most of the pipeline QC results are visualised in the report and further statistics are available in the report data directory. +The MultiQC report consolidates: + +- checksum validation status for MD5 and/or SHA-256 manifests; +- post-copy source-to-destination validation status; +- the validated samplesheet and workflow parameter summary; and +- pipeline and tool versions. -Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see . +Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. -### Pipeline information +## Pipeline information
Output files - `pipeline_info/` - - Reports generated by Nextflow: `execution_report.html`, `execution_timeline.html`, `execution_trace.txt` and `pipeline_dag.dot`/`pipeline_dag.svg`. - - Reports generated by the pipeline: `pipeline_report.html`, `pipeline_report.txt` and `software_versions.yml`. The `pipeline_report*` files will only be present if the `--email` / `--email_on_fail` parameter's are used when running the pipeline. - - Reformatted samplesheet files used as input to the pipeline: `samplesheet.valid.csv`. - - Parameters used by the pipeline run: `params.json`. + - `nf_core_datasync_software_mqc_versions.yml`: versions of the pipeline and tools collected for MultiQC. + - `execution_timeline_.html`: chronological task execution view. + - `execution_report_.html`: task runtime and resource report. + - `execution_trace_.txt`: tabular task-level execution trace. + - `pipeline_dag_.html`: workflow dependency graph. + - Completion reports generated when `--email` or `--email_on_fail` is configured may also be present.
-[Nextflow](https://www.nextflow.io/docs/latest/tracing.html) provides excellent functionality for generating various reports relevant to the running and execution of the pipeline. This will allow you to troubleshoot errors with the running of the pipeline, and also provide you with other information such as launch commands, run times and resource usage. +These files provide operational provenance and help diagnose performance or failures. Archive them with the MultiQC and rclone reports. The Nextflow `work/` directory and `.nextflow.log` remain in the launch directory rather than `--outdir`; keep them until transfer verification is complete if detailed troubleshooting or `-resume` may be needed. diff --git a/docs/usage.md b/docs/usage.md index 1c85a3e..ca40098 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -2,213 +2,132 @@ ## :warning: Please read this documentation on the nf-core website: [https://nf-co.re/datasync/usage](https://nf-co.re/datasync/usage) -> _Documentation of pipeline parameters is generated automatically from the pipeline schema and can no longer be found in markdown files._ +> Pipeline parameter documentation is generated automatically from [`nextflow_schema.json`](../nextflow_schema.json). This page explains how to prepare a transfer and operate the pipeline. -## Introduction +## Prerequisites - +Install Nextflow 25.10.4 or later and use a supported software profile. Docker or Singularity/Apptainer is recommended for reproducibility. Ensure that the account running Nextflow can read each source and checksum manifest and can write to every destination. + +For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. Avoid committing configuration files because they may contain credentials. Native environment credentials and public endpoints can be used without this option when supported by the storage backend. ## Samplesheet input -You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row as shown in the examples below. +Supply a comma-separated samplesheet with `--input`: ```bash ---input '[path to samplesheet file]' +--input /path/to/samplesheet.csv ``` -### Multiple runs of the same sample +Each row describes an independent transfer. The header names are fixed; columns may be in any order. + +| Column | Required | Description | +| -------------- | ------------------- | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | +| `sample` | Yes | Unique identifier used in task labels and output report names. It must not contain whitespace. Use a unique value for each row to prevent published report files from colliding. | +| `input` | Yes | Source file or directory. Local paths and HTTP(S) URLs are supported by the copy step; other locations must be addressable in the execution environment. Whitespace is not allowed. | +| `output_path` | Yes | Destination directory understood by rclone, such as `/archive/runs`, `s3://bucket/prefix`, or a configured `remote:path`. Whitespace is not allowed. | +| `checksum_md5` | One checksum column | MD5 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using SHA-256 only. | +| `checksum_sha` | One checksum column | SHA-256 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using MD5 only. | -The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate the raw reads before performing any downstream analysis. Below is an example for the same sample sequenced across 3 lanes: +At least one checksum manifest is required on every row. If both are supplied, both validations run. Checksum files must use the format accepted by [`rclone checksum`](https://rclone.org/commands/rclone_checksum/): one hash and one path per line, with paths relative to the source root. Despite the permitted `.csv`/`.tsv` filename suffix, the contents are checksum-manifest text rather than a table with a header. + +Example: ```csv title="samplesheet.csv" -sample,fastq_1,fastq_2 -CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz -CONTROL_REP1,AEG588A1_S1_L003_R1_001.fastq.gz,AEG588A1_S1_L003_R2_001.fastq.gz -CONTROL_REP1,AEG588A1_S1_L004_R1_001.fastq.gz,AEG588A1_S1_L004_R2_001.fastq.gz +sample,input,output_path,checksum_md5,checksum_sha +run_001,/data/run_001,s3://archive/runs,/data/checksums/run_001_md5.tsv, +reference,https://example.org/reference.fa,/data/references,,/data/checksums/reference_sha256.tsv +run_002,/data/run_002,archive:runs,/data/checksums/run_002_md5.tsv,/data/checksums/run_002_sha256.tsv ``` -### Full samplesheet +An [example samplesheet](../assets/samplesheet.csv) is included in the repository. -The pipeline will auto-detect whether a sample is single- or paired-end using the information provided in the samplesheet. The samplesheet can have as many columns as you desire, however, there is a strict requirement for the first 3 columns to match those defined in the table below. +### Destination layout -A final samplesheet file consisting of both single- and paired-end data may look something like the one below. This is for 6 samples, where `TREATMENT_REP3` has been sequenced twice. +The pipeline preserves the source basename: -```csv title="samplesheet.csv" -sample,fastq_1,fastq_2 -CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz -CONTROL_REP2,AEG588A2_S2_L002_R1_001.fastq.gz,AEG588A2_S2_L002_R2_001.fastq.gz -CONTROL_REP3,AEG588A3_S3_L002_R1_001.fastq.gz,AEG588A3_S3_L002_R2_001.fastq.gz -TREATMENT_REP1,AEG588A4_S4_L003_R1_001.fastq.gz, -TREATMENT_REP2,AEG588A5_S5_L003_R1_001.fastq.gz, -TREATMENT_REP3,AEG588A6_S6_L003_R1_001.fastq.gz, -TREATMENT_REP3,AEG588A6_S6_L004_R1_001.fastq.gz, -``` - -| Column | Description | -| --------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | -| `sample` | Custom sample name. This entry will be identical for multiple sequencing libraries/runs from the same sample. Spaces in sample names are automatically converted to underscores (`_`). | -| `fastq_1` | Full path to FastQ file for Illumina short reads 1. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz". | -| `fastq_2` | Full path to FastQ file for Illumina short reads 2. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz". | +- for a file source, rclone copies the file into `output_path`, and validation expects `output_path/`; +- for a directory source, the pipeline appends the source directory name, so `/data/run_001` with `output_path=/archive/runs` is copied and checked at `/archive/runs/run_001`. -An [example samplesheet](../assets/samplesheet.csv) has been provided with the pipeline. +A trailing slash on `output_path` is removed before these paths are constructed. Ensure that a destination does not already contain unrelated files: post-copy validation uses `rclone check --one-way`, which checks that source content exists and matches at the destination while tolerating destination-only files. ## Running the pipeline -The typical command for running the pipeline is as follows: +A typical local-to-cloud run is: ```bash -nextflow run nf-core/datasync --input ./samplesheet.csv --outdir ./results --genome GRCh37 -profile docker +nextflow run nf-core/datasync \ + -r \ + -profile docker \ + --input /data/samplesheet.csv \ + --outdir /data/datasync-results \ + --rclone_config /secure/rclone.conf ``` -This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles. +`--outdir` stores logs, integrity reports, MultiQC, and execution metadata. It does **not** override the transfer destinations in the samplesheet. -Note that the pipeline will create the following files in your working directory: +To inspect the proposed copy without writing destination data: ```bash -work # Directory containing the nextflow working files - # Finished results in specified location (defined with --outdir) -.nextflow_log # Log file from Nextflow -# Other nextflow hidden files, eg. history of pipeline runs and old logs. +nextflow run nf-core/datasync \ + -r \ + -profile docker \ + --input /data/samplesheet.csv \ + --outdir /data/datasync-dry-run \ + --rclone_config /secure/rclone.conf \ + --rclone_dry_run ``` -If you wish to repeatedly use the same parameters for multiple runs, rather than specifying each flag in the command, you can specify these in a params file. - -Pipeline settings can be provided in a `yaml` or `json` file via `-params-file `. +The checksum and post-copy check stages still run during a dry run. Consequently, post-copy results reflect whatever was already present at the destination rather than a simulated final state. -> [!WARNING] -> Do not use `-c ` to specify parameters as this will result in errors. Custom config files specified with `-c` must only be used for [tuning process resource specifications](https://nf-co.re/docs/running/run-pipelines#configuring-pipelines), other infrastructural tweaks (such as output directories), or module arguments (args). +### Parameter files -The above pipeline run specified with a params file in yaml format: - -```bash -nextflow run nf-core/datasync -profile docker -params-file params.yaml -``` - -with: +Frequently reused settings can be stored in YAML or JSON and loaded with `-params-file`: ```yaml title="params.yaml" -input: './samplesheet.csv' -outdir: './results/' -genome: 'GRCh37' -<...> +input: /data/samplesheet.csv +outdir: /data/datasync-results +rclone_config: /secure/rclone.conf +multiqc_title: July archive transfer ``` -You can also generate such `YAML`/`JSON` files via [nf-core/launch](https://nf-co.re/launch). - -### Updating the pipeline - -When you run the above command, Nextflow automatically pulls the pipeline code from GitHub and stores it as a cached version. When running the pipeline after this, it will always use the cached version if available - even if the pipeline has been updated since. To make sure that you're running the latest version of the pipeline, make sure that you regularly update the cached version of the pipeline: - ```bash -nextflow pull nf-core/datasync +nextflow run nf-core/datasync -r -profile docker -params-file params.yaml ``` -### Reproducibility - -It is a good idea to specify the pipeline version when running the pipeline on your data. This ensures that a specific version of the pipeline code and software are used when you run your pipeline. If you keep using the same tag, you'll be running the same version of the pipeline, even if there have been changes to the code since. - -First, go to the [nf-core/datasync releases page](https://github.com/nf-core/datasync/releases) and find the latest pipeline version - numeric only (eg. `1.3.1`). Then specify this when running the pipeline with `-r` (one hyphen) - eg. `-r 1.3.1`. Of course, you can switch to another version by changing the number after the `-r` flag. - -This version number will be logged in reports when you run the pipeline, so that you'll know what you used when you look back in the future. For example, at the bottom of the MultiQC reports. - -To further assist in reproducibility, you can use share and reuse [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. - -> [!TIP] -> If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. - -## Core Nextflow arguments - -> [!NOTE] -> These options are part of Nextflow and use a _single_ hyphen (pipeline parameters use a double-hyphen) - -### `-profile` - -Use this parameter to choose a configuration profile. Profiles can give configuration presets for different compute environments. - -Several generic profiles are bundled with the pipeline which instruct the pipeline to use software packaged using different methods (Docker, Singularity, Podman, Shifter, Charliecloud, Apptainer, Conda) - see below. - -> [!IMPORTANT] -> We highly recommend the use of Docker or Singularity containers for full pipeline reproducibility, however when this is not possible, Conda is also supported. +Do not use `-c` for pipeline parameters. Use it only for Nextflow executor, resources, and other infrastructure configuration. -The pipeline also dynamically loads configurations from [https://github.com/nf-core/configs](https://github.com/nf-core/configs) when it runs, making multiple config profiles for various institutional clusters available at run time. For more information and to check if your system is supported, please see the [nf-core/configs documentation](https://github.com/nf-core/configs#documentation). +## Understanding completion and integrity -Note that multiple profiles can be loaded, for example: `-profile test,docker` - the order of arguments is important! -They are loaded in sequence, so later profiles can overwrite earlier profiles. +For each row, the pipeline first validates supplied checksum manifests, performs the copy, and then compares source and destination. Rclone comparison commands write status reports even when differences are found, allowing all results to be collected in MultiQC. Therefore, a successful Nextflow run means the workflow completed; it does **not by itself** prove every object matched. Review `multiqc/multiqc_report.html` and the reports under `rclone/`, especially lines marked `-`, `+`, `*`, or `!` (see [output documentation](output.md)). -If `-profile` is not specified, the pipeline will run locally and expect all software to be installed and available on the `PATH`. This is _not_ recommended, since it can lead to different results on different machines dependent on the computer environment. +## Resuming and reproducibility -- `test` - - A profile with a complete configuration for automated testing - - Includes links to test data so needs no other parameters -- `docker` - - A generic configuration profile to be used with [Docker](https://docker.com/) -- `singularity` - - A generic configuration profile to be used with [Singularity](https://sylabs.io/docs/) -- `podman` - - A generic configuration profile to be used with [Podman](https://podman.io/) -- `shifter` - - A generic configuration profile to be used with [Shifter](https://nersc.gitlab.io/development/shifter/how-to-use/) -- `charliecloud` - - A generic configuration profile to be used with [Charliecloud](https://charliecloud.io/) -- `apptainer` - - A generic configuration profile to be used with [Apptainer](https://apptainer.org/) -- `wave` - - A generic configuration profile to enable [Wave](https://seqera.io/wave/) containers. Use together with one of the above (requires Nextflow ` 24.03.0-edge` or later). -- `conda` - - A generic configuration profile to be used with [Conda](https://conda.io/docs/). Please only use Conda as a last resort i.e. when it's not possible to run the pipeline with Docker, Singularity, Podman, Shifter, Charliecloud, or Apptainer. +Pin a released pipeline version with `-r` and record the samplesheet, parameter file, rclone configuration provenance (without exposing secrets), and generated `pipeline_info/` directory. To restart an interrupted run with unchanged inputs and parameters, add `-resume`: -### `-resume` - -Specify this when restarting a pipeline. Nextflow will use cached results from any pipeline steps where the inputs are the same, continuing from where it got to previously. For input to be considered the same, not only the names must be identical but the files' contents as well. For more info about this parameter, see [this blog post](https://www.nextflow.io/blog/2019/demystifying-nextflow-resume.html). - -You can also supply a run name to resume a specific run: `-resume [run-name]`. Use the `nextflow log` command to show previous run names. - -### `-c` - -Specify the path to a specific config file (this is a core Nextflow command). See the [nf-core website documentation](https://nf-co.re/usage/configuration) for more information. - -## Custom configuration - -### Resource requests - -Whilst the default requirements set within the pipeline will hopefully work for most people and with most input data, you may find that you want to customise the compute resources that the pipeline requests. Each step in the pipeline has a default set of requirements for number of CPUs, memory and time. For most of the pipeline steps, if the job exits with any of the error codes specified [here](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/conf/base.config#L18) it will automatically be resubmitted with higher resources request (2 x original, then 3 x original). If it still fails after the third attempt then the pipeline execution is stopped. - -To change the resource requests, please see the [max resources](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#set-max-resources) and [customise process resources](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#customize-process-resources) section of the nf-core website. - -### Custom Containers - -In some cases, you may wish to change the container or conda environment used by a pipeline steps for a particular tool. By default, nf-core pipelines use containers and software from the [biocontainers](https://biocontainers.pro/) or [bioconda](https://bioconda.github.io/) projects. However, in some cases the pipeline specified version maybe out of date. - -To use a different container from the default container or conda environment specified in a pipeline, please see the [updating tool versions](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#update-tool-versions) section of the nf-core website. - -### Custom Tool Arguments - -A pipeline might not always support every possible argument or option of a particular tool used in pipeline. Fortunately, nf-core pipelines provide some freedom to users to insert additional parameters that the pipeline does not include by default. - -To learn how to provide additional arguments to a particular tool of the pipeline, please see the [customising tool arguments](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#modifying-tool-arguments) section of the nf-core website. - -### nf-core/configs - -In most cases, you will only need to create a custom config as a one-off but if you and others within your organisation are likely to be running nf-core pipelines regularly and need to use the same settings regularly it may be a good idea to request that your custom config file is uploaded to the `nf-core/configs` git repository. Before you do this please can you test that the config file works with your pipeline of choice using the `-c` parameter. You can then create a pull request to the `nf-core/configs` repository with the addition of your config file, associated documentation file (see examples in [`nf-core/configs/docs`](https://github.com/nf-core/configs/tree/master/docs)), and amending [`nfcore_custom.config`](https://github.com/nf-core/configs/blob/master/nfcore_custom.config) to include your custom profile. - -See the main [Nextflow documentation](https://www.nextflow.io/docs/latest/config.html) for more information about creating your own configuration files. - -If you have any questions or issues please send us a message on [Slack](https://nf-co.re/join/slack) on the [`#configs` channel](https://nfcore.slack.com/channels/configs). - -## Running in the background +```bash +nextflow run nf-core/datasync -r -profile docker -params-file params.yaml -resume +``` -Nextflow handles job submissions and supervises the running jobs. The Nextflow process must run until the pipeline is finished. +Nextflow may reuse completed tasks from its work directory. Before retrying a partial transfer, confirm the destination contents are acceptable; rclone copy skips identical files but may update changed ones. -The Nextflow `-bg` flag launches Nextflow in the background, detached from your terminal so that the workflow does not stop if you log out of your session. The logs are saved to a file. +Update the locally cached pipeline when intentionally moving to a newer release: -Alternatively, you can use `screen` / `tmux` or similar tool to create a detached session which you can log back into at a later time. -Some HPC setups also allow you to run nextflow within a cluster job submitted your job scheduler (from where it submits more jobs). +```bash +nextflow pull nf-core/datasync +``` -## Nextflow memory requirements +## Resource configuration -In some cases, the Nextflow Java virtual machines can start to request a large amount of memory. -We recommend adding the following line to your environment to limit this (typically in `~/.bashrc` or `~./bash_profile`): +The rclone processes use the `process_low` label. Configure executors and override CPU, memory, or time in a Nextflow config, for example: -```bash -NXF_OPTS='-Xms1g -Xmx4g' +```groovy title="resources.config" +process { + withLabel: process_low { + cpus = 8 + memory = '16 GB' + time = '12h' + } +} ``` + +Run with `-c resources.config`. Rclone derives its checker count from allocated CPUs, and the copy step uses roughly half that count (minimum one) for parallel transfers. From 447fa1466d9f6cda13af1f2896dbcb02bb5e0064 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 17 Jul 2026 17:58:40 -0300 Subject: [PATCH 02/59] docs: expand rclone remote configuration guidance --- README.md | 4 +-- docs/output.md | 2 ++ docs/usage.md | 90 +++++++++++++++++++++++++++++++++++++++++++++----- 3 files changed, 85 insertions(+), 11 deletions(-) diff --git a/README.md b/README.md index c899b6e..7a53bb8 100644 --- a/README.md +++ b/README.md @@ -31,7 +31,7 @@ 3. compares the copied data with the source using `rclone check`; and 4. produces detailed rclone status files and a consolidated MultiQC report. -Sources may be local paths or HTTP(S) URLs. Destinations can be local paths or rclone-supported remote storage (for example S3 or Azure Blob Storage); authenticated remotes can be defined with `--rclone_config`. +Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers. ```mermaid graph LR @@ -66,7 +66,7 @@ nextflow run nf-core/datasync \ --rclone_config /path/to/rclone.conf ``` -`--rclone_config` is optional when all paths are accessible without an rclone remote configuration. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. +`--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for S3 and Azure examples. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. > [!WARNING] > Provide pipeline parameters on the command line or with Nextflow's `-params-file` option. Do not put pipeline parameters in a configuration supplied with `-c`; custom configuration files are intended for executor and resource settings. diff --git a/docs/output.md b/docs/output.md index 50ea1e3..9a76161 100644 --- a/docs/output.md +++ b/docs/output.md @@ -98,3 +98,5 @@ Open `multiqc_report.html` after every run and investigate any non-matching, mis These files provide operational provenance and help diagnose performance or failures. Archive them with the MultiQC and rclone reports. The Nextflow `work/` directory and `.nextflow.log` remain in the launch directory rather than `--outdir`; keep them until transfer verification is complete if detailed troubleshooting or `-resume` may be needed. + +The supplied rclone configuration is an input credential file and is not intentionally copied to `--outdir`. Nevertheless, execution logs may contain remote names and object paths. Review logs before sharing them, and manage `rclone.conf` separately as a secret. diff --git a/docs/usage.md b/docs/usage.md index ca40098..b6d622f 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -8,7 +8,7 @@ Install Nextflow 25.10.4 or later and use a supported software profile. Docker or Singularity/Apptainer is recommended for reproducibility. Ensure that the account running Nextflow can read each source and checksum manifest and can write to every destination. -For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. Avoid committing configuration files because they may contain credentials. Native environment credentials and public endpoints can be used without this option when supported by the storage backend. +For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. The configuration applies to remote **sources and destinations**. For example, the pipeline can copy from S3 to a local directory, from Azure Blob Storage to S3, or between two separately configured S3-compatible providers. ## Samplesheet input @@ -20,13 +20,13 @@ Supply a comma-separated samplesheet with `--input`: Each row describes an independent transfer. The header names are fixed; columns may be in any order. -| Column | Required | Description | -| -------------- | ------------------- | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | -| `sample` | Yes | Unique identifier used in task labels and output report names. It must not contain whitespace. Use a unique value for each row to prevent published report files from colliding. | -| `input` | Yes | Source file or directory. Local paths and HTTP(S) URLs are supported by the copy step; other locations must be addressable in the execution environment. Whitespace is not allowed. | -| `output_path` | Yes | Destination directory understood by rclone, such as `/archive/runs`, `s3://bucket/prefix`, or a configured `remote:path`. Whitespace is not allowed. | -| `checksum_md5` | One checksum column | MD5 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using SHA-256 only. | -| `checksum_sha` | One checksum column | SHA-256 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using MD5 only. | +| Column | Required | Description | +| -------------- | ------------------- | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | +| `sample` | Yes | Unique identifier used in task labels and output report names. It must not contain whitespace. Use a unique value for each row to prevent published report files from colliding. | +| `input` | Yes | Source file or directory. This can be a local path, HTTP(S) URL, object-storage URL such as `s3://bucket/prefix`, or configured remote such as `source_s3:bucket/prefix` or `source_azure:container/prefix`. Whitespace is not allowed. | +| `output_path` | Yes | Destination directory understood by rclone, such as `/archive/runs`, `s3://bucket/prefix`, or a configured `remote:path`. Whitespace is not allowed. | +| `checksum_md5` | One checksum column | MD5 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using SHA-256 only. | +| `checksum_sha` | One checksum column | SHA-256 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using MD5 only. | At least one checksum manifest is required on every row. If both are supplied, both validations run. Checksum files must use the format accepted by [`rclone checksum`](https://rclone.org/commands/rclone_checksum/): one hash and one path per line, with paths relative to the source root. Despite the permitted `.csv`/`.tsv` filename suffix, the contents are checksum-manifest text rather than a table with a header. @@ -41,7 +41,79 @@ run_002,/data/run_002,archive:runs,/data/checksums/run_002_md5.tsv,/data/checksu An [example samplesheet](../assets/samplesheet.csv) is included in the repository. -### Destination layout +## Configuring rclone remotes + +The file supplied with `--rclone_config` uses rclone's INI-style format. Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. One file may contain several sections, so a cloud-to-cloud transfer can define both providers in the same file: + +```text +source_s3:incoming/run_001 +archive_azure:research-archive/run_001 +``` + +Create the file interactively where possible: + +```bash +rclone config --config /secure/rclone.conf +rclone listremotes --config /secure/rclone.conf +``` + +Then provide that exact file to the pipeline: + +```bash +nextflow run nf-core/datasync \ + -profile docker \ + --input samplesheet.csv \ + --outdir results \ + --rclone_config /secure/rclone.conf +``` + +### S3 and S3-compatible storage + +An S3 remote specifies the provider, region, and credentials. S3-compatible services commonly also require their service endpoint. For example: + +```ini title="rclone.conf" +[source_s3] +type = s3 +provider = AWS +access_key_id = YOUR_ACCESS_KEY_ID +secret_access_key = YOUR_SECRET_ACCESS_KEY +region = eu-central-1 + +[institutional_s3] +type = s3 +provider = Other +access_key_id = YOUR_ACCESS_KEY_ID +secret_access_key = YOUR_SECRET_ACCESS_KEY +endpoint = https://objects.example.org +region = us-east-1 +``` + +The corresponding input values could be `source_s3:incoming/run_001` and `institutional_s3:project/run_002`. Provider-specific settings vary: consult the [rclone S3 documentation](https://rclone.org/s3/) and your storage provider's endpoint, region, addressing-style, and credential documentation rather than copying example values unchanged. + +The pipeline also accepts an `s3://bucket/path` source or destination. In that form, ensure credentials and provider settings are available to both Nextflow and rclone in the execution environment. A named remote such as `source_s3:bucket/path` makes the selected configuration section explicit and is preferable when a config file contains multiple S3 providers. + +### Azure Blob Storage + +An Azure remote can use a storage account and key, a SAS URL, managed identity, or another authentication method supported by rclone. A storage-account-key example is: + +```ini title="rclone.conf" +[archive_azure] +type = azureblob +account = YOUR_STORAGE_ACCOUNT +key = YOUR_STORAGE_ACCOUNT_KEY +``` + +A destination can then use `archive_azure:container/path`. See the [rclone Azure Blob Storage documentation](https://rclone.org/azureblob/) to select the authentication method appropriate for the execution environment. Prefer short-lived credentials, managed identity, or narrowly scoped SAS tokens over long-lived account keys where possible. + +### Credential handling and validation + +- Do not commit `rclone.conf`, add it to container images, or include its contents in support requests. It often contains plaintext credentials or reusable tokens. +- Restrict access, for example with `chmod 600 /secure/rclone.conf`, and inject the file through your workflow platform's secret-management facility where available. +- Use distinct, least-privilege credentials for each provider. A source generally needs list/read access, while a destination needs list/read/write access for copying and post-copy validation. +- Test each configured remote before launching the pipeline, for example with `rclone lsd source_s3:bucket --config /secure/rclone.conf`. Use a harmless test prefix before operating on production data. +- Rotate any example or real credential that is accidentally exposed. The placeholder values above are not usable credentials. + +## Destination layout The pipeline preserves the source basename: From 1946fbea9acf3b34c7be43cd71b5203a81d047bd Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Tue, 21 Jul 2026 13:03:37 -0300 Subject: [PATCH 03/59] docs: clarify tested rclone configuration scope --- README.md | 4 ++-- docs/usage.md | 8 ++++---- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index 7a53bb8..d6d97f4 100644 --- a/README.md +++ b/README.md @@ -31,7 +31,7 @@ 3. compares the copied data with the source using `rclone check`; and 4. produces detailed rclone status files and a consolidated MultiQC report. -Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers. +Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). ```mermaid graph LR @@ -66,7 +66,7 @@ nextflow run nf-core/datasync \ --rclone_config /path/to/rclone.conf ``` -`--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for S3 and Azure examples. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. +`--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for the tested S3-to-S3 use case and guidance on adapting rclone configuration files for other providers. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. > [!WARNING] > Provide pipeline parameters on the command line or with Nextflow's `-params-file` option. Do not put pipeline parameters in a configuration supplied with `-c`; custom configuration files are intended for executor and resource settings. diff --git a/docs/usage.md b/docs/usage.md index b6d622f..da77337 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -8,7 +8,7 @@ Install Nextflow 25.10.4 or later and use a supported software profile. Docker or Singularity/Apptainer is recommended for reproducibility. Ensure that the account running Nextflow can read each source and checksum manifest and can write to every destination. -For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. The configuration applies to remote **sources and destinations**. For example, the pipeline can copy from S3 to a local directory, from Azure Blob Storage to S3, or between two separately configured S3-compatible providers. +For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. The configuration applies to remote **sources and destinations**. The pipeline has currently been tested for transfers between S3 buckets. Other rclone-supported layouts, such as Azure Blob Storage to S3 or transfers between S3-compatible providers, should be configured and validated against the upstream rclone documentation for each provider before use. ## Samplesheet input @@ -43,7 +43,7 @@ An [example samplesheet](../assets/samplesheet.csv) is included in the repositor ## Configuring rclone remotes -The file supplied with `--rclone_config` uses rclone's INI-style format. Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. One file may contain several sections, so a cloud-to-cloud transfer can define both providers in the same file: +The file supplied with `--rclone_config` uses rclone's INI-style format. Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. One file may contain several sections, so other cloud-to-cloud transfers can define both providers in the same file, but provider-specific options should be taken from the relevant rclone documentation rather than inferred from the S3 example: ```text source_s3:incoming/run_001 @@ -69,7 +69,7 @@ nextflow run nf-core/datasync \ ### S3 and S3-compatible storage -An S3 remote specifies the provider, region, and credentials. S3-compatible services commonly also require their service endpoint. For example: +The main use case tested for nf-core/datasync is transferring files between S3 buckets. An S3 remote specifies the provider, region, and credentials. S3-compatible services commonly also require their service endpoint. For example: ```ini title="rclone.conf" [source_s3] @@ -103,7 +103,7 @@ account = YOUR_STORAGE_ACCOUNT key = YOUR_STORAGE_ACCOUNT_KEY ``` -A destination can then use `archive_azure:container/path`. See the [rclone Azure Blob Storage documentation](https://rclone.org/azureblob/) to select the authentication method appropriate for the execution environment. Prefer short-lived credentials, managed identity, or narrowly scoped SAS tokens over long-lived account keys where possible. +A destination can then use `archive_azure:container/path`. Azure and other non-S3 providers are examples of rclone-supported use cases, but they are not the primary tested configuration for this pipeline. See the [rclone Azure Blob Storage documentation](https://rclone.org/azureblob/) to select the authentication method appropriate for the execution environment, and validate the configuration with rclone before launching nf-core/datasync. Prefer short-lived credentials, managed identity, or narrowly scoped SAS tokens over long-lived account keys where possible. ### Credential handling and validation From be56cb87ad0b6d951e22d8e6d91f440d195fc39a Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:05:09 -0300 Subject: [PATCH 04/59] Update README.md --- README.md | 14 +++----------- 1 file changed, 3 insertions(+), 11 deletions(-) diff --git a/README.md b/README.md index d6d97f4..c762965 100644 --- a/README.md +++ b/README.md @@ -33,14 +33,8 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -```mermaid -graph LR - A[Samplesheet] --> B[Validate supplied checksums] - A --> C[Copy with rclone] - C --> D[Compare source and destination] - B --> E[MultiQC integrity report] - D --> E -``` +metromap_style_pipeline_workflow_components drawio + ## Quick start @@ -51,7 +45,7 @@ Create a samplesheet containing one transfer per row: ```csv sample,input,output_path,checksum_md5,checksum_sha -run_001,/data/run_001,s3://archive/runs,/data/manifests/run_001_md5.tsv, +run_001,/data/run_001,s3://archive/runs,/data/manifests/run_001_md5.tsv reference,https://example.org/reference.fa,/data/references,,/data/manifests/reference_sha256.tsv ``` @@ -68,8 +62,6 @@ nextflow run nf-core/datasync \ `--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for the tested S3-to-S3 use case and guidance on adapting rclone configuration files for other providers. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. -> [!WARNING] -> Provide pipeline parameters on the command line or with Nextflow's `-params-file` option. Do not put pipeline parameters in a configuration supplied with `-c`; custom configuration files are intended for executor and resource settings. See the [usage documentation](docs/usage.md) for samplesheet rules, destination semantics, remote configuration, and reproducible execution. The complete generated parameter reference is available on the [nf-core pipeline page](https://nf-co.re/datasync/parameters). From ca5f1926f6e9aa19367c3ef3e3bd9410ed7e8ed6 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:17:06 -0300 Subject: [PATCH 05/59] Update usage.md --- docs/usage.md | 35 +++-------------------------------- 1 file changed, 3 insertions(+), 32 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index da77337..91dd2f0 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -34,7 +34,7 @@ Example: ```csv title="samplesheet.csv" sample,input,output_path,checksum_md5,checksum_sha -run_001,/data/run_001,s3://archive/runs,/data/checksums/run_001_md5.tsv, +run_001,/data/run_001,s3://archive/runs,/data/checksums/run_001_md5.tsv reference,https://example.org/reference.fa,/data/references,,/data/checksums/reference_sha256.tsv run_002,/data/run_002,archive:runs,/data/checksums/run_002_md5.tsv,/data/checksums/run_002_sha256.tsv ``` @@ -69,50 +69,21 @@ nextflow run nf-core/datasync \ ### S3 and S3-compatible storage -The main use case tested for nf-core/datasync is transferring files between S3 buckets. An S3 remote specifies the provider, region, and credentials. S3-compatible services commonly also require their service endpoint. For example: +The main use case tested for nf-core/datasync is transferring files between S3 buckets. An S3 remote specifies the provider, region, and credentials. For example: ```ini title="rclone.conf" -[source_s3] +[s3] type = s3 provider = AWS access_key_id = YOUR_ACCESS_KEY_ID secret_access_key = YOUR_SECRET_ACCESS_KEY region = eu-central-1 - -[institutional_s3] -type = s3 -provider = Other -access_key_id = YOUR_ACCESS_KEY_ID -secret_access_key = YOUR_SECRET_ACCESS_KEY -endpoint = https://objects.example.org -region = us-east-1 ``` The corresponding input values could be `source_s3:incoming/run_001` and `institutional_s3:project/run_002`. Provider-specific settings vary: consult the [rclone S3 documentation](https://rclone.org/s3/) and your storage provider's endpoint, region, addressing-style, and credential documentation rather than copying example values unchanged. The pipeline also accepts an `s3://bucket/path` source or destination. In that form, ensure credentials and provider settings are available to both Nextflow and rclone in the execution environment. A named remote such as `source_s3:bucket/path` makes the selected configuration section explicit and is preferable when a config file contains multiple S3 providers. -### Azure Blob Storage - -An Azure remote can use a storage account and key, a SAS URL, managed identity, or another authentication method supported by rclone. A storage-account-key example is: - -```ini title="rclone.conf" -[archive_azure] -type = azureblob -account = YOUR_STORAGE_ACCOUNT -key = YOUR_STORAGE_ACCOUNT_KEY -``` - -A destination can then use `archive_azure:container/path`. Azure and other non-S3 providers are examples of rclone-supported use cases, but they are not the primary tested configuration for this pipeline. See the [rclone Azure Blob Storage documentation](https://rclone.org/azureblob/) to select the authentication method appropriate for the execution environment, and validate the configuration with rclone before launching nf-core/datasync. Prefer short-lived credentials, managed identity, or narrowly scoped SAS tokens over long-lived account keys where possible. - -### Credential handling and validation - -- Do not commit `rclone.conf`, add it to container images, or include its contents in support requests. It often contains plaintext credentials or reusable tokens. -- Restrict access, for example with `chmod 600 /secure/rclone.conf`, and inject the file through your workflow platform's secret-management facility where available. -- Use distinct, least-privilege credentials for each provider. A source generally needs list/read access, while a destination needs list/read/write access for copying and post-copy validation. -- Test each configured remote before launching the pipeline, for example with `rclone lsd source_s3:bucket --config /secure/rclone.conf`. Use a harmless test prefix before operating on production data. -- Rotate any example or real credential that is accidentally exposed. The placeholder values above are not usable credentials. - ## Destination layout The pipeline preserves the source basename: From ceb7d63f97e1dc05f6131d762cbe5b96a617f228 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:20:46 -0300 Subject: [PATCH 06/59] Update CHANGELOG.md --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 1b9f2c2..b9d5e86 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,6 +14,8 @@ Initial release of nf-core/datasync, created with the [nf-core](https://nf-co.re - [[#46](https://github.com/nf-core/datasync/pull/46)] - Import Rclone module from nf-core([@antoniasaracco](https://github.com/antoniasaracco), review by [@delfiterradas](https://github.com/delfiterradas)). - [[#41](https://github.com/nf-core/datasync/pull/41)] - Generate MultiQC Report with comparechecksum tables and input samplesheet ([@delfiterradas](https://github.com/delfiterradas), review by [@atrigila](https://github.com/atrigila)). - [[#49](https://github.com/nf-core/datasync/pull/49)] - Install `RCLONE_CHECK` and `RCLONE_CHECKSUM` modules from nf-core ([@delfiterradas](https://github.com/delfiterradas), review by [@atrigila](https://github.com/atrigila) and [@antoniasaracco](https://github.com/antoniasaracco)). +- [[#59](https://github.com/nf-core/datasync/pull/59)] - Create pipeline documentation ([@antoniasaracco](https://github.com/antoniasaracco), review by [@atrigila](https://github.com/atrigila) and [@delfiterradas](https://github.com/delfiterradas)). + ### `Fixed` From f10bc2cadc88b814c896f6ef32c67eed9b2d4d3c Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:26:19 -0300 Subject: [PATCH 07/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index c762965..e60ff31 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -metromap_style_pipeline_workflow_components drawio +metromap_style_pipeline_workflow_components drawio (1) ## Quick start From c0cb403a90e47ffd9c243b94b944cd6ffc49167a Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:26:55 -0300 Subject: [PATCH 08/59] Update CHANGELOG.md --- CHANGELOG.md | 1 - 1 file changed, 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index b9d5e86..e83434b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -16,7 +16,6 @@ Initial release of nf-core/datasync, created with the [nf-core](https://nf-co.re - [[#49](https://github.com/nf-core/datasync/pull/49)] - Install `RCLONE_CHECK` and `RCLONE_CHECKSUM` modules from nf-core ([@delfiterradas](https://github.com/delfiterradas), review by [@atrigila](https://github.com/atrigila) and [@antoniasaracco](https://github.com/antoniasaracco)). - [[#59](https://github.com/nf-core/datasync/pull/59)] - Create pipeline documentation ([@antoniasaracco](https://github.com/antoniasaracco), review by [@atrigila](https://github.com/atrigila) and [@delfiterradas](https://github.com/delfiterradas)). - ### `Fixed` ### `Dependencies` From 7dea7d83fd21eaf2e4b026f495e9454eb57d9f63 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:27:32 -0300 Subject: [PATCH 09/59] Update README.md --- README.md | 2 -- 1 file changed, 2 deletions(-) diff --git a/README.md b/README.md index e60ff31..c2cc376 100644 --- a/README.md +++ b/README.md @@ -35,7 +35,6 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported r metromap_style_pipeline_workflow_components drawio (1) - ## Quick start > [!NOTE] @@ -62,7 +61,6 @@ nextflow run nf-core/datasync \ `--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for the tested S3-to-S3 use case and guidance on adapting rclone configuration files for other providers. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. - See the [usage documentation](docs/usage.md) for samplesheet rules, destination semantics, remote configuration, and reproducible execution. The complete generated parameter reference is available on the [nf-core pipeline page](https://nf-co.re/datasync/parameters). ## Pipeline output From 6ff877415b59d41a70a8c9c47780807bf186f4cc Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 15:47:01 -0300 Subject: [PATCH 10/59] Update output.md --- docs/output.md | 49 +++++++++++++++++++++++++++++++++++-------------- 1 file changed, 35 insertions(+), 14 deletions(-) diff --git a/docs/output.md b/docs/output.md index 9a76161..e6de4ae 100644 --- a/docs/output.md +++ b/docs/output.md @@ -12,13 +12,24 @@ This document describes the reports produced by nf-core/datasync. Paths below ar ```text / ├── rclone/ -│ ├── -rclone-copy.log -│ ├── .combined.txt -│ ├── .match.txt -│ ├── .differ.txt -│ ├── .missing_on_dst.txt -│ ├── .missing_on_src.txt -│ └── .error.txt +│ ├── copy/ +│ │ └── -rclone-copy.log +│ ├── checksum/ +│ │ └── / +│ │ ├── .combined.txt +│ │ ├── .match.txt +│ │ ├── .differ.txt +│ │ ├── .missing_on_dst.txt +│ │ ├── .missing_on_src.txt +│ │ └── .error.txt +│ └── check/ +│ └── / +│ ├── .combined.txt +│ ├── .match.txt +│ ├── .differ.txt +│ ├── .missing_on_dst.txt +│ ├── .missing_on_src.txt +│ └── .error.txt ├── multiqc/ │ ├── multiqc_report.html │ └── multiqc_data/ @@ -27,26 +38,36 @@ This document describes the reports produced by nf-core/datasync. Paths below ar └── execution_* / pipeline_dag_* ``` +The `rclone/` directory is split by module stage. Copy logs are published to `rclone/copy/`, pre-copy checksum validation reports are published to `rclone/checksum//`, and post-copy source-to-destination comparison reports are published to `rclone/check//`. The `` directory name is taken from the `sample` value in the samplesheet row. + ## Rclone transfer and integrity reports
Output files -- `rclone/` +- `rclone/copy/` - `-rclone-copy.log`: informational log from the copy operation. - - `.combined.txt`: combined comparison status, one path per line. - - `.match.txt`: paths whose content matched (`=`). +- `rclone/checksum//` + - `.combined.txt`: combined pre-copy checksum-validation status, one path per line. + - `.match.txt`: paths whose content matched the supplied checksum manifest (`=`). + - `.differ.txt`: paths present in the source and manifest but with different content (`*`). + - `.missing_on_dst.txt`: paths present in the checksum manifest but absent from the checked source (`-`). + - `.missing_on_src.txt`: paths present in the checked source but absent from the checksum manifest (`+`). + - `.error.txt`: paths that could not be read or hashed (`!`). +- `rclone/check//` + - `.combined.txt`: combined post-copy source-to-destination comparison status, one path per line. + - `.match.txt`: paths whose content matched between source and destination (`=`). - `.differ.txt`: paths present on both sides but with different content (`*`). - - `.missing_on_dst.txt`: paths found in the source or manifest but absent from the checked data (`-`). - - `.missing_on_src.txt`: paths found in the checked data but absent from the source or manifest (`+`). + - `.missing_on_dst.txt`: paths found in the source but absent from the destination (`-`). + - `.missing_on_src.txt`: paths found at the destination but absent from the source (`+`). - `.error.txt`: paths that could not be read or hashed (`!`).
Two integrity stages create reports: -1. **Pre-copy checksum validation** uses each supplied MD5 and/or SHA-256 manifest to check the source. -2. **Post-copy validation** compares the source with the destination after the copy task finishes. +1. **Pre-copy checksum validation** uses each supplied MD5 and/or SHA-256 manifest to check the source and publishes reports under `rclone/checksum//`. +2. **Post-copy validation** compares the source with the destination after the copy task finishes and publishes reports under `rclone/check//`. Both stages use the same `.*.txt` naming convention and publish to `rclone/`. When a row supplies a checksum manifest, similarly named pre-copy and post-copy files may target the same published path; use the consolidated MultiQC sections for the stage-specific summary and retain the Nextflow work directory if both raw report sets must be audited independently. From eb934c8b17d691b5b402df0cc35b6356b773fb31 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 16:46:21 -0300 Subject: [PATCH 11/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index c2cc376..6019685 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -metromap_style_pipeline_workflow_components drawio (1) +metromap_style_pipeline_workflow_components drawio (1) ## Quick start From 4f16da8cab0f8b0554fa6417cabdb6c72f0a7ab1 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 16:47:22 -0300 Subject: [PATCH 12/59] Add files via upload --- ...tyle_pipeline_workflow_components.drawio.png | Bin 0 -> 81474 bytes 1 file changed, 0 insertions(+), 0 deletions(-) create mode 100644 docs/images/metromap_style_pipeline_workflow_components.drawio.png diff --git a/docs/images/metromap_style_pipeline_workflow_components.drawio.png b/docs/images/metromap_style_pipeline_workflow_components.drawio.png new file mode 100644 index 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z>pF8#)rPITf$X@}GI+>P8k`1qS7@7DCj`YzsOfkb`(iOz6O`Qf(wJfv=7?;hOY2ra(|7B@4 z7EC8ql_Mef=*i7%upV5Xo{M=~!;r03uRs|2eADx8 zi-gj)A?M7tX;ykn5FAmekqAv?JGR+Y@p(OJep@mg-Q6yigkmHjT0sf`u6!H}uQtZC z3;wbCIA_#$a77#N&f0D&S<1hw#)PpgPyg?#`7K=yGKh|EV6(7gRxqC882LAU^f+;e zK{js7695G Date: Wed, 22 Jul 2026 16:49:01 -0300 Subject: [PATCH 13/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 6019685..da4fbf8 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -metromap_style_pipeline_workflow_components drawio (1) +![nf-core/datasync metro map](docs/images/metromap_style_pipeline_workflow_components.drawio.png) ## Quick start From fdb0a8d392a6dc88a5f7f32493e2a0f73c456fdb Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 16:50:13 -0300 Subject: [PATCH 14/59] Update README.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index da4fbf8..6b0da93 100644 --- a/README.md +++ b/README.md @@ -48,7 +48,7 @@ run_001,/data/run_001,s3://archive/runs,/data/manifests/run_001_md5.tsv reference,https://example.org/reference.fa,/data/references,,/data/manifests/reference_sha256.tsv ``` -Then launch the pipeline with a container profile: +Then launch the pipeline using: ```bash nextflow run nf-core/datasync \ From 51b9fdf1753371c9e9a32a5b06909f6ce1553694 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 16:52:06 -0300 Subject: [PATCH 15/59] Update README.md --- README.md | 9 +-------- 1 file changed, 1 insertion(+), 8 deletions(-) diff --git a/README.md b/README.md index 6b0da93..87c9b9b 100644 --- a/README.md +++ b/README.md @@ -65,14 +65,7 @@ See the [usage documentation](docs/usage.md) for samplesheet rules, destination ## Pipeline output -Results are written below `--outdir`: - -- `rclone/` contains a copy log and integrity status files for each samplesheet row; -- `multiqc/multiqc_report.html` provides the consolidated transfer and checksum summary; -- `multiqc/multiqc_data/` contains machine-readable report data; and -- `pipeline_info/` contains software versions and Nextflow execution reports. - -The transferred data itself is written directly to each row's `output_path`, not below `--outdir` unless that is the destination you selected. See the [output documentation](docs/output.md) for file names and status-code interpretation. +Results are written below `--outdir`. See the [output documentation](docs/output.md) for file names and status-code interpretation. ## Credits From b558b3ce1008a4adc440c1fe6283a8d27ed0eb88 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 17:09:09 -0300 Subject: [PATCH 16/59] Update README.md --- README.md | 13 ++++++++++++- 1 file changed, 12 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 87c9b9b..7889f05 100644 --- a/README.md +++ b/README.md @@ -40,7 +40,18 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported r > [!NOTE] > If you are new to Nextflow and nf-core, see the [nf-core environment setup guide](https://nf-co.re/docs/get_started/environment_setup/overview). Nextflow 25.10.4 or later is required. -Create a samplesheet containing one transfer per row: +To explore the pipeline outputs before preparing your own data, run the bundled `test` profile with a container profile: + +```bash +nextflow run nf-core/datasync \ + -r \ + -profile test,docker \ + --outdir results +``` + +The `test` profile supplies a small samplesheet and rclone configuration automatically. It also enables `--rclone_dry_run`, so no files are actually transferred. This makes it useful for exploring the `rclone/` output folders and `multiqc/multiqc_report.html`; remember that post-copy comparison reports describe whatever is already present at the destination because the dry run does not write transfer data. + +To run the pipeline on your own data, create a samplesheet containing one transfer per row: ```csv sample,input,output_path,checksum_md5,checksum_sha From c3c93c9ace89524920c9ec95d8daef8cda214d23 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 17:09:42 -0300 Subject: [PATCH 17/59] Update README.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 7889f05..076a36e 100644 --- a/README.md +++ b/README.md @@ -27,7 +27,7 @@ **nf-core/datasync** is a Nextflow pipeline for copying files and directories between storage locations and documenting their integrity. For every row in an input samplesheet, the pipeline: 1. validates the source against a supplied MD5 and/or SHA-256 checksum manifest; -2. copies the source to the requested destination with [rclone](https://rclone.org/); +2. copies the source to the requested destination with [`rclone copy`](https://rclone.org/); 3. compares the copied data with the source using `rclone check`; and 4. produces detailed rclone status files and a consolidated MultiQC report. From fd9b00ce37e7fc2a7243a2a5c7643c7d70ceb34f Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 17:13:16 -0300 Subject: [PATCH 18/59] Update README.md --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 076a36e..c2b08fe 100644 --- a/README.md +++ b/README.md @@ -26,9 +26,9 @@ **nf-core/datasync** is a Nextflow pipeline for copying files and directories between storage locations and documenting their integrity. For every row in an input samplesheet, the pipeline: -1. validates the source against a supplied MD5 and/or SHA-256 checksum manifest; +1. validates the source against a supplied MD5 and/or SHA-256 checksum manifest using [`rclone checksum`](https://rclone.org/commands/rclone_checksum/); 2. copies the source to the requested destination with [`rclone copy`](https://rclone.org/); -3. compares the copied data with the source using `rclone check`; and +3. compares the copied data with the source using [`rclone check`](https://rclone.org/commands/rclone_check/); and 4. produces detailed rclone status files and a consolidated MultiQC report. Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). From 110eaf89ad17d909de00dda9ac2488da4e4d5a94 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 17:13:38 -0300 Subject: [PATCH 19/59] Update docs/usage.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 91dd2f0..f08519f 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -173,4 +173,4 @@ process { } ``` -Run with `-c resources.config`. Rclone derives its checker count from allocated CPUs, and the copy step uses roughly half that count (minimum one) for parallel transfers. +Run with `-c resources.config`. `rclone` derives its checker count from allocated CPUs, and the copy step uses roughly half that count (minimum one) for parallel transfers. From cfd37ed8c0ee5bd7856751faa3d5a906637eea43 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Wed, 22 Jul 2026 17:13:53 -0300 Subject: [PATCH 20/59] Update docs/usage.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index f08519f..1543172 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -161,7 +161,7 @@ nextflow pull nf-core/datasync ## Resource configuration -The rclone processes use the `process_low` label. Configure executors and override CPU, memory, or time in a Nextflow config, for example: +The `rclone` processes use the `process_low` label. Configure executors and override CPU, memory, or time in a Nextflow config, for example: ```groovy title="resources.config" process { From 65d43d6c09a5dd39589617a82b1e04fd76537e0e Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 19:39:52 -0300 Subject: [PATCH 21/59] Update usage.md --- docs/usage.md | 33 +++++++++++++++++++++++++++++++++ 1 file changed, 33 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index 1543172..f2a4800 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -122,6 +122,39 @@ nextflow run nf-core/datasync \ The checksum and post-copy check stages still run during a dry run. Consequently, post-copy results reflect whatever was already present at the destination rather than a simulated final state. +Note that the pipeline will create the following files in your working directory: + +```bash +work # Directory containing the nextflow working files + # Finished results in specified location (defined with --outdir) +.nextflow_log # Log file from Nextflow +# Other nextflow hidden files, eg. history of pipeline runs and old logs. +``` + +If you wish to repeatedly use the same parameters for multiple runs, rather than specifying each flag in the command, you can specify these in a params file. + +Pipeline settings can be provided in a `yaml` or `json` file via `-params-file `. + +> [!WARNING] +> Do not use `-c ` to specify parameters as this will result in errors. Custom config files specified with `-c` must only be used for [tuning process resource specifications](https://nf-co.re/docs/running/run-pipelines#configuring-pipelines), other infrastructural tweaks (such as output directories), or module arguments (args). + +The above pipeline run specified with a params file in yaml format: + +```bash +nextflow run nf-core/datasync -profile docker -params-file params.yaml +``` + +with: + +```yaml title="params.yaml" +input: './samplesheet.csv' +outdir: './results/' +genome: 'GRCh37' +<...> +``` + +You can also generate such `YAML`/`JSON` files via [nf-core/launch](https://nf-co.re/launch). + ### Parameter files Frequently reused settings can be stored in YAML or JSON and loaded with `-params-file`: From 673cd47cd5a0e0712adb92733e89aa58ea829ebe Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 19:41:53 -0300 Subject: [PATCH 22/59] Update usage.md --- docs/usage.md | 23 +++++++++++++---------- 1 file changed, 13 insertions(+), 10 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index f2a4800..a903ce4 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -176,21 +176,24 @@ Do not use `-c` for pipeline parameters. Use it only for Nextflow executor, reso For each row, the pipeline first validates supplied checksum manifests, performs the copy, and then compares source and destination. Rclone comparison commands write status reports even when differences are found, allowing all results to be collected in MultiQC. Therefore, a successful Nextflow run means the workflow completed; it does **not by itself** prove every object matched. Review `multiqc/multiqc_report.html` and the reports under `rclone/`, especially lines marked `-`, `+`, `*`, or `!` (see [output documentation](output.md)). -## Resuming and reproducibility +### Reproducibility -Pin a released pipeline version with `-r` and record the samplesheet, parameter file, rclone configuration provenance (without exposing secrets), and generated `pipeline_info/` directory. To restart an interrupted run with unchanged inputs and parameters, add `-resume`: +It is a good idea to specify the pipeline version when running the pipeline on your data. This ensures that a specific version of the pipeline code and software are used when you run your pipeline. If you keep using the same tag, you'll be running the same version of the pipeline, even if there have been changes to the code since. -```bash -nextflow run nf-core/datasync -r -profile docker -params-file params.yaml -resume -``` +First, go to the [nf-core/datasync releases page](https://github.com/nf-core/datasync/releases) and find the latest pipeline version - numeric only (eg. `1.3.1`). Then specify this when running the pipeline with `-r` (one hyphen) - eg. `-r 1.3.1`. Of course, you can switch to another version by changing the number after the `-r` flag. -Nextflow may reuse completed tasks from its work directory. Before retrying a partial transfer, confirm the destination contents are acceptable; rclone copy skips identical files but may update changed ones. +This version number will be logged in reports when you run the pipeline, so that you'll know what you used when you look back in the future. For example, at the bottom of the MultiQC reports. -Update the locally cached pipeline when intentionally moving to a newer release: +To further assist in reproducibility, you can use share and reuse [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. -```bash -nextflow pull nf-core/datasync -``` +> [!TIP] +> If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. + +### `-resume` + +Specify this when restarting a pipeline. Nextflow will use cached results from any pipeline steps where the inputs are the same, continuing from where it got to previously. For input to be considered the same, not only the names must be identical but the files' contents as well. For more info about this parameter, see [this blog post](https://www.nextflow.io/blog/2019/demystifying-nextflow-resume.html). + +You can also supply a run name to resume a specific run: `-resume [run-name]`. Use the `nextflow log` command to show previous run names. ## Resource configuration From f59d2977acc43d465d5fecf860fc5ceacd5a58c2 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 19:44:06 -0300 Subject: [PATCH 23/59] Update usage.md --- docs/usage.md | 45 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 45 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index a903ce4..3d169b3 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -189,12 +189,57 @@ To further assist in reproducibility, you can use share and reuse [parameter fil > [!TIP] > If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. +## Core Nextflow arguments + +> [!NOTE] +> These options are part of Nextflow and use a _single_ hyphen (pipeline parameters use a double-hyphen) + +### `-profile` + +Use this parameter to choose a configuration profile. Profiles can give configuration presets for different compute environments. + +Several generic profiles are bundled with the pipeline which instruct the pipeline to use software packaged using different methods (Docker, Singularity, Podman, Shifter, Charliecloud, Apptainer, Conda) - see below. + +> [!IMPORTANT] +> We highly recommend the use of Docker or Singularity containers for full pipeline reproducibility, however when this is not possible, Conda is also supported. + +The pipeline also dynamically loads configurations from [https://github.com/nf-core/configs](https://github.com/nf-core/configs) when it runs, making multiple config profiles for various institutional clusters available at run time. For more information and to check if your system is supported, please see the [nf-core/configs documentation](https://github.com/nf-core/configs#documentation). + +Note that multiple profiles can be loaded, for example: `-profile test,docker` - the order of arguments is important! +They are loaded in sequence, so later profiles can overwrite earlier profiles. + +If `-profile` is not specified, the pipeline will run locally and expect all software to be installed and available on the `PATH`. This is _not_ recommended, since it can lead to different results on different machines dependent on the computer environment. + +- `test` + - A profile with a complete configuration for automated testing + - Includes links to test data so needs no other parameters +- `docker` + - A generic configuration profile to be used with [Docker](https://docker.com/) +- `singularity` + - A generic configuration profile to be used with [Singularity](https://sylabs.io/docs/) +- `podman` + - A generic configuration profile to be used with [Podman](https://podman.io/) +- `shifter` + - A generic configuration profile to be used with [Shifter](https://nersc.gitlab.io/development/shifter/how-to-use/) +- `charliecloud` + - A generic configuration profile to be used with [Charliecloud](https://charliecloud.io/) +- `apptainer` + - A generic configuration profile to be used with [Apptainer](https://apptainer.org/) +- `wave` + - A generic configuration profile to enable [Wave](https://seqera.io/wave/) containers. Use together with one of the above (requires Nextflow ` 24.03.0-edge` or later). +- `conda` + - A generic configuration profile to be used with [Conda](https://conda.io/docs/). Please only use Conda as a last resort i.e. when it's not possible to run the pipeline with Docker, Singularity, Podman, Shifter, Charliecloud, or Apptainer. + ### `-resume` Specify this when restarting a pipeline. Nextflow will use cached results from any pipeline steps where the inputs are the same, continuing from where it got to previously. For input to be considered the same, not only the names must be identical but the files' contents as well. For more info about this parameter, see [this blog post](https://www.nextflow.io/blog/2019/demystifying-nextflow-resume.html). You can also supply a run name to resume a specific run: `-resume [run-name]`. Use the `nextflow log` command to show previous run names. +### `-c` + +Specify the path to a specific config file (this is a core Nextflow command). See the [nf-core website documentation](https://nf-co.re/usage/configuration) for more information. + ## Resource configuration The `rclone` processes use the `process_low` label. Configure executors and override CPU, memory, or time in a Nextflow config, for example: From 13c631482715313c8c055aebe8f85f7989892e72 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 19:46:29 -0300 Subject: [PATCH 24/59] Update usage.md --- docs/usage.md | 26 +++++++++++++++++++++++++- 1 file changed, 25 insertions(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 3d169b3..cb2553c 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -240,7 +240,9 @@ You can also supply a run name to resume a specific run: `-resume [run-name]`. U Specify the path to a specific config file (this is a core Nextflow command). See the [nf-core website documentation](https://nf-co.re/usage/configuration) for more information. -## Resource configuration +## Custom configuration + +### Resource requests The `rclone` processes use the `process_low` label. Configure executors and override CPU, memory, or time in a Nextflow config, for example: @@ -255,3 +257,25 @@ process { ``` Run with `-c resources.config`. `rclone` derives its checker count from allocated CPUs, and the copy step uses roughly half that count (minimum one) for parallel transfers. +To change the resource requests, please see the [max resources](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#set-max-resources) and [customise process resources](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#customize-process-resources) section of the nf-core website. + +### Custom Containers + +In some cases, you may wish to change the container or conda environment used by a pipeline steps for a particular tool. By default, nf-core pipelines use containers and software from the [biocontainers](https://biocontainers.pro/) or [bioconda](https://bioconda.github.io/) projects. However, in some cases the pipeline specified version maybe out of date. + +To use a different container from the default container or conda environment specified in a pipeline, please see the [updating tool versions](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#update-tool-versions) section of the nf-core website. + +### Custom Tool Arguments + +A pipeline might not always support every possible argument or option of a particular tool used in pipeline. Fortunately, nf-core pipelines provide some freedom to users to insert additional parameters that the pipeline does not include by default. + +To learn how to provide additional arguments to a particular tool of the pipeline, please see the [customising tool arguments](https://nf-co.re/docs/running/configuration/nextflow-for-your-system#modifying-tool-arguments) section of the nf-core website. + +### nf-core/configs + +In most cases, you will only need to create a custom config as a one-off but if you and others within your organisation are likely to be running nf-core pipelines regularly and need to use the same settings regularly it may be a good idea to request that your custom config file is uploaded to the `nf-core/configs` git repository. Before you do this please can you test that the config file works with your pipeline of choice using the `-c` parameter. You can then create a pull request to the `nf-core/configs` repository with the addition of your config file, associated documentation file (see examples in [`nf-core/configs/docs`](https://github.com/nf-core/configs/tree/master/docs)), and amending [`nfcore_custom.config`](https://github.com/nf-core/configs/blob/master/nfcore_custom.config) to include your custom profile. + +See the main [Nextflow documentation](https://www.nextflow.io/docs/latest/config.html) for more information about creating your own configuration files. + +If you have any questions or issues please send us a message on [Slack](https://nf-co.re/join/slack) on the [`#configs` channel](https://nfcore.slack.com/channels/configs). + From e4b7dddefd12cd9494c38acc319235ee9df39528 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 20:35:59 -0300 Subject: [PATCH 25/59] Update usage.md --- docs/usage.md | 35 ++++++++++++++++++++++++++++++----- 1 file changed, 30 insertions(+), 5 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index cb2553c..5b28f65 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -25,20 +25,45 @@ Each row describes an independent transfer. The header names are fixed; columns | `sample` | Yes | Unique identifier used in task labels and output report names. It must not contain whitespace. Use a unique value for each row to prevent published report files from colliding. | | `input` | Yes | Source file or directory. This can be a local path, HTTP(S) URL, object-storage URL such as `s3://bucket/prefix`, or configured remote such as `source_s3:bucket/prefix` or `source_azure:container/prefix`. Whitespace is not allowed. | | `output_path` | Yes | Destination directory understood by rclone, such as `/archive/runs`, `s3://bucket/prefix`, or a configured `remote:path`. Whitespace is not allowed. | -| `checksum_md5` | One checksum column | MD5 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using SHA-256 only. | -| `checksum_sha` | One checksum column | SHA-256 sum file (`.csv` or `.tsv`) used to validate `input` before copying. Leave empty when using MD5 only. | +| `checksum_md5` | One checksum column | Path or URL to an MD5 checksum manifest used to validate `input` before copying. The manifest format is described below. Leave empty when using SHA-256 only. | +| `checksum_sha` | One checksum column | Path or URL to a SHA-256 checksum manifest used to validate `input` before copying. The manifest format is described below. Leave empty when using MD5 only. | -At least one checksum manifest is required on every row. If both are supplied, both validations run. Checksum files must use the format accepted by [`rclone checksum`](https://rclone.org/commands/rclone_checksum/): one hash and one path per line, with paths relative to the source root. Despite the permitted `.csv`/`.tsv` filename suffix, the contents are checksum-manifest text rather than a table with a header. +At least one checksum manifest is required on every row. If both are supplied, both validations run. Checksum files must use the format accepted by [`rclone checksum`](https://rclone.org/commands/rclone_checksum/): one checksum record per line with the hash value followed by two spaces and then the file path. Paths must be relative to the source root from the `input` column, not absolute paths. -Example: +For a directory input, the source root is the directory named in the samplesheet. For example, if the samplesheet `input` is `/data/run_001` and one file in that directory is `/data/run_001/reads/sample_R1.fastq.gz`, the checksum manifest path must be `reads/sample_R1.fastq.gz`. Do not write `/data/run_001/reads/sample_R1.fastq.gz` in the manifest. For a single-file input, use the input file name as the manifest path. + +Checksum manifests may use a `.tsv` or `.csv` filename extension, but their contents are not tab-separated or comma-separated tables and must not include a header. Each record is plain text with the hash and path separated by exactly two spaces. The required fields are: + +| Field | Required | Description | +| ----- | -------- | ----------------------------------------------------------------------------------------------- | +| Hash | Yes | MD5 hash for `checksum_md5` files or SHA-256 hash for `checksum_sha` files. | +| Path | Yes | Relative path to the file being validated, resolved from the corresponding `input` source root. | + +Example samplesheet: ```csv title="samplesheet.csv" sample,input,output_path,checksum_md5,checksum_sha -run_001,/data/run_001,s3://archive/runs,/data/checksums/run_001_md5.tsv +run_001,/data/run_001,s3://archive/runs,/data/checksums/run_001_md5.tsv, reference,https://example.org/reference.fa,/data/references,,/data/checksums/reference_sha256.tsv run_002,/data/run_002,archive:runs,/data/checksums/run_002_md5.tsv,/data/checksums/run_002_sha256.tsv ``` +For the `run_001` directory example, `/data/checksums/run_001_md5.tsv` could contain: + +```text title="run_001_md5.tsv" +d41d8cd98f00b204e9800998ecf8427e reads/sample_R1.fastq.gz +0cc175b9c0f1b6a831c399e269772661 reads/sample_R2.fastq.gz +900150983cd24fb0d6963f7d28e17f72 reports/qc_summary.txt +``` + +For a SHA-256 manifest, the same relative paths are used with SHA-256 hashes: + +```text title="run_001_sha256.tsv" +e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 reads/sample_R1.fastq.gz +ca978112ca1bbdcafac231b39a23dc4da786eff8147c4e72b9807785afee48bb reads/sample_R2.fastq.gz +ba7816bf8f01cfea414140de5dae2223b00361a396177a9cb410ff61f20015ad reports/qc_summary.txt +``` + An [example samplesheet](../assets/samplesheet.csv) is included in the repository. ## Configuring rclone remotes From 90155e6a583df836497b46d5bd69942bd272f9be Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 20:40:40 -0300 Subject: [PATCH 26/59] Add files via upload --- docs/images/datasync-metromap.drawio.png | Bin 0 -> 59786 bytes 1 file changed, 0 insertions(+), 0 deletions(-) create mode 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zZ<@ytIl=gzBz<{)0WuzSd+-$hk{Ve=fFtPbSzW%Bc>KX6UFspmAavCtN+S(%3>{W2 zaGWn$Xn>X~Bc_3Rk%U1+;NDD9PdnW?ltF5ZQ7v)LWxF>{0?MOBjr$dC$X!Qaa`Zv*a*Is(OGS*VN z>pF8#)rPITf$X@}GI+>P8k`1qS7@7DCj`YzsOfkb`(iOz6O`Qf(wJfv=7?;hOY2ra(|7B@4 z7EC8ql_Mef=*i7%upV5Xo{M=~!;r03uRs|2eADx8 zi-gj)A?M7tX;ykn5FAmekqAv?JGR+Y@p(OJep@mg-Q6yigkmHjT0sf`u6!H}uQtZC z3;wbCIA_#$a77#N&f0D&S<1hw#)PpgPyg?#`7K=yGKh|EV6(7gRxqC882LAU^f+;e zK{js7695G Date: Thu, 23 Jul 2026 20:42:26 -0300 Subject: [PATCH 28/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index c2b08fe..b681bad 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -![nf-core/datasync metro map](docs/images/metromap_style_pipeline_workflow_components.drawio.png) +![nf-core/datasync metro map](docs/images/datasync-metromap.drawio.png) ## Quick start From 3baecb63a50f0893ff04cca2c41dcb7e8ef4f5c6 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Thu, 23 Jul 2026 20:47:27 -0300 Subject: [PATCH 29/59] Update output.md --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index e6de4ae..1286736 100644 --- a/docs/output.md +++ b/docs/output.md @@ -101,7 +101,7 @@ The MultiQC report consolidates: - the validated samplesheet and workflow parameter summary; and - pipeline and tool versions. -Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. +Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. In the rclone result sections, entries are prioritised so rows needing attention are shown before successful matches: errors, mismatches, and missing-file statuses appear ahead of matching files. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. ## Pipeline information From 18e1b6b4a488308ca7832f83c8e5bffa91813746 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 08:31:55 -0300 Subject: [PATCH 30/59] Update usage.md --- docs/usage.md | 1 - 1 file changed, 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 5b28f65..baefddf 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -303,4 +303,3 @@ In most cases, you will only need to create a custom config as a one-off but if See the main [Nextflow documentation](https://www.nextflow.io/docs/latest/config.html) for more information about creating your own configuration files. If you have any questions or issues please send us a message on [Slack](https://nf-co.re/join/slack) on the [`#configs` channel](https://nfcore.slack.com/channels/configs). - From 98c775ee85e267ec0a94665daac763c6d8d7c936 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 08:39:48 -0300 Subject: [PATCH 31/59] Add files via upload --- docs/images/datasync-multiqc-checksum-md5.png | Bin 0 -> 119323 bytes .../datasync-multiqc-post-transfer-check.png | Bin 0 -> 123499 bytes 2 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 docs/images/datasync-multiqc-checksum-md5.png create mode 100644 docs/images/datasync-multiqc-post-transfer-check.png diff --git a/docs/images/datasync-multiqc-checksum-md5.png b/docs/images/datasync-multiqc-checksum-md5.png new file mode 100644 index 0000000000000000000000000000000000000000..42968b7b0e0e681fe79e8c104b76bec0f1701ed6 GIT binary patch literal 119323 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z7?|P_`%K}^zzr=~>3m=Gk3o7;qIte3E1PNkQhx9ix$RdX*gp`c9}B(yu5p3(p|S8i aXJ=-=73Ev=unw@-{kWy=u`+YltN#XIC(y9~ literal 0 HcmV?d00001 From 331046befab8b9def62abea0e27772763709e2e7 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 08:49:17 -0300 Subject: [PATCH 32/59] Update output.md --- docs/output.md | 16 ++++++++++++++-- 1 file changed, 14 insertions(+), 2 deletions(-) diff --git a/docs/output.md b/docs/output.md index 1286736..4371f7f 100644 --- a/docs/output.md +++ b/docs/output.md @@ -96,11 +96,23 @@ Empty category files mean that rclone reported no entries in that category. The The MultiQC report consolidates: -- checksum validation status for MD5 and/or SHA-256 manifests; -- post-copy source-to-destination validation status; +- checksum validation status for MD5 and/or SHA-256 manifests generated from `rclone checksum`; +- post-copy source-to-destination validation status generated from `rclone check`; - the validated samplesheet and workflow parameter summary; and - pipeline and tool versions. +### Rclone checksum sections + +The MD5 and SHA-256 input-validation sections show the results from `rclone checksum`. Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. + +![nf-core/multiqc checksum md5](docs/images/datasync-multiqc-checksum-md5.png) + +### Rclone check section + +The source-destination validation section shows the results from `rclone check` after the copy step. Use this section to confirm that copied files at `output_path` match the corresponding source files. + +![nf-core/multiqc checksum md5](docs/images/datasync-multiqc-post-transfer-check.png) + Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. In the rclone result sections, entries are prioritised so rows needing attention are shown before successful matches: errors, mismatches, and missing-file statuses appear ahead of matching files. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. ## Pipeline information From c184be491eb46923163c339ab3c238b077ef7134 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 08:57:32 -0300 Subject: [PATCH 33/59] Update output.md --- docs/output.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/output.md b/docs/output.md index 4371f7f..27a0c6b 100644 --- a/docs/output.md +++ b/docs/output.md @@ -105,13 +105,13 @@ The MultiQC report consolidates: The MD5 and SHA-256 input-validation sections show the results from `rclone checksum`. Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. -![nf-core/multiqc checksum md5](docs/images/datasync-multiqc-checksum-md5.png) +![nf-core/multiqc checksum md5](images/datasync-multiqc-checksum-md5.png) ### Rclone check section The source-destination validation section shows the results from `rclone check` after the copy step. Use this section to confirm that copied files at `output_path` match the corresponding source files. -![nf-core/multiqc checksum md5](docs/images/datasync-multiqc-post-transfer-check.png) +![nf-core/multiqc checksum md5](images/datasync-multiqc-post-transfer-check.png) Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. In the rclone result sections, entries are prioritised so rows needing attention are shown before successful matches: errors, mismatches, and missing-file statuses appear ahead of matching files. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. From 10631f6e6c46b15b26dda69db4bc378f53f4ee42 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 09:23:05 -0300 Subject: [PATCH 34/59] Update usage.md --- docs/usage.md | 59 +++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 59 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index baefddf..c8e95fd 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -197,6 +197,65 @@ nextflow run nf-core/datasync -r -profile docker -params-file params.y Do not use `-c` for pipeline parameters. Use it only for Nextflow executor, resources, and other infrastructure configuration. +### Common integrity outcomes + +The workflow is designed to collect rclone reports even when rclone detects differences. The table below summarises common edge cases and how to interpret them in the published reports and MultiQC. + +| Situation | Where it is detected | Report status | Pipeline behaviour and action | +| ------------------------------------------------------------------ | ---------------------------------------------------------------- | --------------------------------- | --------------------------------------------------------------------------------------------------------------------------------------------------- | +| File exists and checksum/content matches | `rclone checksum` before copy and `rclone check` after copy | `=` / `Match` | Expected result; no action needed. | +| File is listed in the checksum manifest but absent from the source | Pre-copy `rclone checksum` | `-` / missing from checked source | The report is retained for review. Fix the manifest or restore the missing source file before relying on the transfer. | +| Source file exists but is absent from the checksum manifest | Pre-copy `rclone checksum` | `+` / missing from manifest | Review whether the manifest is incomplete or whether the extra source file should be excluded from the transfer. | +| Source file hash differs from the supplied manifest | Pre-copy `rclone checksum` | `*` / mismatch | Investigate source mutation, stale manifests, or incorrect checksum files before accepting the copy. | +| Source file cannot be read or hashed | Pre-copy `rclone checksum` | `!` / error | Inspect credentials, permissions, connectivity, and source path spelling. | +| Destination is missing a copied file | Post-copy `rclone check` | `-` / missing from destination | Treat as an incomplete transfer unless the file was intentionally excluded; re-run or inspect the rclone copy log. | +| Destination file exists but content differs from source | Post-copy `rclone check` | `*` / mismatch | Re-copy or investigate concurrent source/destination changes. | +| Destination contains files absent from the source | Post-copy `rclone check` | `+` / missing from source | The post-copy check uses `--one-way`, so destination-only files are tolerated, but should still be reviewed for unexpected stale or unrelated data. | +| Dry-run execution | Copy step uses `--dry-run`; checksum and check reports still run | Depends on existing destination | No transfer data is written. Post-copy reports describe whatever was already present at the destination. | + +### Including or excluding files + +Filter files by passing additional rclone filter flags to the relevant rclone module through a Nextflow configuration file. Rclone supports flags such as `--include`, `--exclude`, `--filter`, `--files-from`, and related rule files; see the [rclone filtering documentation](https://rclone.org/filtering/) for rule syntax and ordering. + +For example, to copy and check only FASTQ files while excluding temporary files, create a small infrastructure config: + +```groovy title="rclone_filters.config" +process { + withName: 'RCLONE_COPY' { + ext.args = { + [ + '--log-level INFO', + '--stats 30s', + '--stats-one-line', + '--stats-log-level INFO', + '--s3-chunk-size 64M', + '--no-check-certificate', + params.rclone_dry_run ? '--dry-run' : '', + '--include "*.fastq.gz"', + '--include "*.fq.gz"', + '--exclude "*.tmp"', + '--exclude "*"' + ].findAll { it }.join(' ') + } + } + + withName: 'RCLONE_CHECK' { + ext.args = { + [ + '--no-check-certificate', + '--one-way', + '--include "*.fastq.gz"', + '--include "*.fq.gz"', + '--exclude "*.tmp"', + '--exclude "*"' + ].join(' ') + } + } +} +``` + +Run it with `-c rclone_filters.config` in addition to your normal profile and parameters. Because `ext.args` overrides module defaults, include the default rclone flags you still need when adding filters. Keep checksum manifests consistent with the same filtering rules: if a file is intentionally excluded from copy/check, remove it from the checksum manifest or generate a manifest for only the included files. + ## Understanding completion and integrity For each row, the pipeline first validates supplied checksum manifests, performs the copy, and then compares source and destination. Rclone comparison commands write status reports even when differences are found, allowing all results to be collected in MultiQC. Therefore, a successful Nextflow run means the workflow completed; it does **not by itself** prove every object matched. Review `multiqc/multiqc_report.html` and the reports under `rclone/`, especially lines marked `-`, `+`, `*`, or `!` (see [output documentation](output.md)). From d5daf90e3415af26b4c1c7ec7deb4da8c88eb449 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:02:24 -0300 Subject: [PATCH 35/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 27a0c6b..986bdd3 100644 --- a/docs/output.md +++ b/docs/output.md @@ -101,7 +101,7 @@ The MultiQC report consolidates: - the validated samplesheet and workflow parameter summary; and - pipeline and tool versions. -### Rclone checksum sections +### `rclone checksum` section (source integrity checks) The MD5 and SHA-256 input-validation sections show the results from `rclone checksum`. Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. From db629124b86218c9a23e14c1d1b1fc885dacfece Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:02:33 -0300 Subject: [PATCH 36/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 986bdd3..43f95ae 100644 --- a/docs/output.md +++ b/docs/output.md @@ -107,7 +107,7 @@ The MD5 and SHA-256 input-validation sections show the results from `rclone chec ![nf-core/multiqc checksum md5](images/datasync-multiqc-checksum-md5.png) -### Rclone check section +### `rclone check` section (post-transfer checks) The source-destination validation section shows the results from `rclone check` after the copy step. Use this section to confirm that copied files at `output_path` match the corresponding source files. From 01f6cdafae386375e76d2402a1cc338540976d2c Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:02:43 -0300 Subject: [PATCH 37/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 43f95ae..4822585 100644 --- a/docs/output.md +++ b/docs/output.md @@ -113,7 +113,7 @@ The source-destination validation section shows the results from `rclone check` ![nf-core/multiqc checksum md5](images/datasync-multiqc-post-transfer-check.png) -Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. In the rclone result sections, entries are prioritised so rows needing attention are shown before successful matches: errors, mismatches, and missing-file statuses appear ahead of matching files. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. +Open `multiqc_report.html` after every run and investigate any non-matching, missing, or error entries. In the `rclone` result sections, entries are prioritised so rows needing attention are shown before successful matches: errors, mismatches, and missing-file statuses appear ahead of matching files. Data under `multiqc_data/` can be retained for automated auditing or downstream reporting; exact filenames may vary with the MultiQC version and the checksum types present in the samplesheet. ## Pipeline information From 679d21000b970c274921185acd09fd2c44502d99 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:02:53 -0300 Subject: [PATCH 38/59] Update docs/usage.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index c8e95fd..f3a1288 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -8,7 +8,7 @@ Install Nextflow 25.10.4 or later and use a supported software profile. Docker or Singularity/Apptainer is recommended for reproducibility. Ensure that the account running Nextflow can read each source and checksum manifest and can write to every destination. -For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. The configuration applies to remote **sources and destinations**. The pipeline has currently been tested for transfers between S3 buckets. Other rclone-supported layouts, such as Azure Blob Storage to S3 or transfers between S3-compatible providers, should be configured and validated against the upstream rclone documentation for each provider before use. +For cloud or other authenticated rclone remotes, create an [rclone configuration](https://rclone.org/docs/) and pass it with `--rclone_config`. The configuration applies to remote **sources and destinations**. The pipeline has currently been tested for transfers between S3 buckets. Other rclone-supported layouts, such as Azure Blob Storage to S3 or transfers between S3-compatible providers, should be configured and validated against the upstream `rclone` documentation for each provider before use. ## Samplesheet input From 083f023700ed7bf75071ec85559e099146e452fc Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:03:43 -0300 Subject: [PATCH 39/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 4822585..bdbfdcd 100644 --- a/docs/output.md +++ b/docs/output.md @@ -40,7 +40,7 @@ This document describes the reports produced by nf-core/datasync. Paths below ar The `rclone/` directory is split by module stage. Copy logs are published to `rclone/copy/`, pre-copy checksum validation reports are published to `rclone/checksum//`, and post-copy source-to-destination comparison reports are published to `rclone/check//`. The `` directory name is taken from the `sample` value in the samplesheet row. -## Rclone transfer and integrity reports +## `rclone` directory

Output files From 70519cc902a14b158fef9efbf161142e77e66990 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:03:52 -0300 Subject: [PATCH 40/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index bdbfdcd..51e9334 100644 --- a/docs/output.md +++ b/docs/output.md @@ -71,7 +71,7 @@ Two integrity stages create reports: Both stages use the same `.*.txt` naming convention and publish to `rclone/`. When a row supplies a checksum manifest, similarly named pre-copy and post-copy files may target the same published path; use the consolidated MultiQC sections for the stage-specific summary and retain the Nextflow work directory if both raw report sets must be audited independently. -The combined files use rclone's one-character status prefixes: +The combined files use `rclone`'s one-character status prefixes: | Prefix | Meaning | Action | | ------ | ------------------------ | --------------------------------------------------------------------------------------------------------------------------- | From 1983a4fe5d4162655cbe70e23f1d7571f1e0c7ca Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:04:03 -0300 Subject: [PATCH 41/59] Update docs/output.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 51e9334..dd3c212 100644 --- a/docs/output.md +++ b/docs/output.md @@ -81,7 +81,7 @@ The combined files use `rclone`'s one-character status prefixes: | `*` | Content differs | Re-copy or investigate source/destination mutation. | | `!` | Read/hash error | Inspect permissions, credentials, connectivity, and the copy log. | -Empty category files mean that rclone reported no entries in that category. The commands are designed to preserve these reports rather than terminate the whole workflow on comparison differences. Always inspect the reports; workflow success alone is not an integrity guarantee. +Empty category files mean that `rclone` reported no entries in that category. The commands are designed to preserve these reports rather than terminate the whole workflow on comparison differences. Always inspect the reports; workflow success alone is not an integrity guarantee. ## MultiQC From e9a292a5870a501f2079995209d8cef70061b194 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 12:04:16 -0300 Subject: [PATCH 42/59] Update docs/usage.md Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index f3a1288..c498483 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -66,7 +66,7 @@ ba7816bf8f01cfea414140de5dae2223b00361a396177a9cb410ff61f20015ad reports/qc_sum An [example samplesheet](../assets/samplesheet.csv) is included in the repository. -## Configuring rclone remotes +## Configuring `rclone` remotes The file supplied with `--rclone_config` uses rclone's INI-style format. Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. One file may contain several sections, so other cloud-to-cloud transfers can define both providers in the same file, but provider-specific options should be taken from the relevant rclone documentation rather than inferred from the S3 example: From e5dd0178b2cc7bfeb2db69c6a2abf0ad0164c692 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 13:04:30 -0300 Subject: [PATCH 43/59] Delete docs/images/datasync-metromap.drawio.png --- docs/images/datasync-metromap.drawio.png | Bin 59786 -> 0 bytes 1 file changed, 0 insertions(+), 0 deletions(-) delete mode 100644 docs/images/datasync-metromap.drawio.png diff --git a/docs/images/datasync-metromap.drawio.png b/docs/images/datasync-metromap.drawio.png deleted file mode 100644 index 2f17a1e3af56ca896c5835c690f6387dba354e61..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 59786 zcmeEv2S8Iv`ZypWtX)y8fFgrL-u?FO_U`Yl?!GrOZ|0k?&3t7h#|-tgmj1NiCk_sd 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zY)bk>E}BCVmc`J)ow>^O)oRofVp?M(s&82m9vy~OG0K>)X)C~4({j6C|49&(3qby& z2UIsRDVSu9-a-Os=NvLwLFPnqCD4|U&vB&n)}R~6PO3o1cdHanBl!#hd|7}56OAesLr}Llb$cTxsc zjcUZeqedx+i79_rF!e#Fgnni8av{l%0G1LJ_A{Iod^hJIK+?1^4Vw{yc9+C#s$zKC zZ)XBM6ZaRy*$FRJF|qONcm*$`cd9T07oM|SD=&=LjqB&`RDp*ku!;%X@?znhc^~&c zg9udY|m@XP>n4ozM5bWeev1ze;kH87cxbe1*ri875-CD zkD4}KfE;w0$gAKf4Ak3txx<3ALDELsi_d}ydC1j#yPLj~kHTC_o-}22hvb z*kyCGR^L~0ylCG5OX+|j`Bp_>p2du@i3txXp$@ok%rS3**8E_3a}|tVl?bF8WjN>a zks4hDC4;FBxV;(C$lN??2BBcoF%Ny0za^sW`A}aWTQYXovr>@eAJAH_FF-=9IUv6$|3hZ-O8ei;iS@x1&*3ndB@A_ z6nsE>i>~04mFH6okkuYz4#gStPay=xa+I(C^Tb`+PYhJTLBJE8_j-mdQZ%YUpn=4w z21SaiC`n9B=Y8C~Dg<-$<1eEDk;|m1Kp^1%kNY&q`{f0&cpp-na*~mqo|0XyXeJ{g eqdxP-DakB2c&9{-T+e<(rlG3)pzQwR!2bjK39|G6 literal 0 HcmV?d00001 From 589fb05c2d0963306b57b1529e27729b43427aa1 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 13:11:37 -0300 Subject: [PATCH 53/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index b681bad..b0c0ae7 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). -![nf-core/datasync metro map](docs/images/datasync-metromap.drawio.png) +![nf-core/datasync metro map](docs/images/datasync-metromap.png) ## Quick start From 3fe2a486180fc5aa5c9a060608a4ebe3fc88cf60 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 13:13:39 -0300 Subject: [PATCH 54/59] Update output.md --- docs/output.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index dd3c212..af52f1a 100644 --- a/docs/output.md +++ b/docs/output.md @@ -103,7 +103,9 @@ The MultiQC report consolidates: ### `rclone checksum` section (source integrity checks) -The MD5 and SHA-256 input-validation sections show the results from `rclone checksum`. Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. +The MD5 and SHA-256 input-validation sections show the results from [`rclone checksum`](https://rclone.org/commands/rclone_checksum/). Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. + +When a samplesheet `input` points to S3, `rclone checksum` can normally validate MD5 manifests from S3 object hashes, but S3 does not provide SHA-256 object hashes for rclone to read remotely. SHA-256 validation for S3 inputs therefore requires `rclone checksum --download`, which downloads object data and calculates the hash locally during validation. Configure the checksum process to pass `--download` when SHA-256 validation is required for S3 inputs; see the [`rclone checksum --download` documentation](https://rclone.org/commands/rclone_checksum/) and the [rclone S3 hash documentation](https://rclone.org/s3/#hashes). ![nf-core/multiqc checksum md5](images/datasync-multiqc-checksum-md5.png) From 1da035b43d639ff0213aa85f00972451b21472d7 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Fri, 24 Jul 2026 13:16:09 -0300 Subject: [PATCH 55/59] Update output.md --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index af52f1a..548f2e0 100644 --- a/docs/output.md +++ b/docs/output.md @@ -105,7 +105,7 @@ The MultiQC report consolidates: The MD5 and SHA-256 input-validation sections show the results from [`rclone checksum`](https://rclone.org/commands/rclone_checksum/). Use these sections to confirm that each source file matched the checksum manifest supplied in `checksum_md5` and/or `checksum_sha` before copying. -When a samplesheet `input` points to S3, `rclone checksum` can normally validate MD5 manifests from S3 object hashes, but S3 does not provide SHA-256 object hashes for rclone to read remotely. SHA-256 validation for S3 inputs therefore requires `rclone checksum --download`, which downloads object data and calculates the hash locally during validation. Configure the checksum process to pass `--download` when SHA-256 validation is required for S3 inputs; see the [`rclone checksum --download` documentation](https://rclone.org/commands/rclone_checksum/) and the [rclone S3 hash documentation](https://rclone.org/s3/#hashes). +When a samplesheet `input` points to S3, `rclone checksum` can normally validate MD5 manifests from S3 object hashes, but S3 does not provide SHA-256 object hashes for rclone to read remotely. SHA-256 validation for S3 inputs therefore requires `rclone checksum --download`, which downloads object data and calculates the hash locally during validation. Configure the checksum process to pass `--download` when SHA-256 validation is required for S3 inputs; see the [`rclone checksum` --download documentation](https://rclone.org/commands/rclone_checksum/). ![nf-core/multiqc checksum md5](images/datasync-multiqc-checksum-md5.png) From 426b319502d6a412c0860ea2e28560125f38d07d Mon Sep 17 00:00:00 2001 From: Alexander Peltzer Date: Tue, 28 Jul 2026 16:53:40 +0200 Subject: [PATCH 56/59] Apply suggestions from code review Co-authored-by: Anabella Trigila <18577080+atrigila@users.noreply.github.com> --- README.md | 13 ++++++++----- docs/usage.md | 25 ++++++++++++++++--------- 2 files changed, 24 insertions(+), 14 deletions(-) diff --git a/README.md b/README.md index b0c0ae7..0690703 100644 --- a/README.md +++ b/README.md @@ -29,9 +29,13 @@ 1. validates the source against a supplied MD5 and/or SHA-256 checksum manifest using [`rclone checksum`](https://rclone.org/commands/rclone_checksum/); 2. copies the source to the requested destination with [`rclone copy`](https://rclone.org/); 3. compares the copied data with the source using [`rclone check`](https://rclone.org/commands/rclone_check/); and -4. produces detailed rclone status files and a consolidated MultiQC report. +4. produces detailed `rclone` status files and a consolidated MultiQC report. -Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. Pass an rclone configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). +Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. + +The current tested use case for this pipeline is transfer between S3 buckets. + +Pass an `rclone` configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). ![nf-core/datasync metro map](docs/images/datasync-metromap.png) @@ -44,12 +48,11 @@ To explore the pipeline outputs before preparing your own data, run the bundled ```bash nextflow run nf-core/datasync \ - -r \ -profile test,docker \ --outdir results ``` -The `test` profile supplies a small samplesheet and rclone configuration automatically. It also enables `--rclone_dry_run`, so no files are actually transferred. This makes it useful for exploring the `rclone/` output folders and `multiqc/multiqc_report.html`; remember that post-copy comparison reports describe whatever is already present at the destination because the dry run does not write transfer data. +The `test` profile supplies a small samplesheet and `rclone` configuration automatically. It also enables `--rclone_dry_run`, so no files are actually transferred. This makes it useful for exploring the `rclone/` output folders and `multiqc/multiqc_report.html`; remember that post-copy comparison reports describe whatever is already present at the destination because the dry run does not write transfer data. To run the pipeline on your own data, create a samplesheet containing one transfer per row: @@ -70,7 +73,7 @@ nextflow run nf-core/datasync \ --rclone_config /path/to/rclone.conf ``` -`--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [rclone configuration section](docs/usage.md#configuring-rclone-remotes) for the tested S3-to-S3 use case and guidance on adapting rclone configuration files for other providers. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. +`--rclone_config` is optional only when every source and destination is accessible without a configured rclone remote. See the [`rclone` configuration section](docs/usage.md#configuring-rclone-remotes) for the tested S3-to-S3 use case and guidance on adapting rclone configuration files for other providers. To preview copy operations without transferring data, add `--rclone_dry_run`; note that subsequent comparison reports will then describe the unchanged destination. See the [usage documentation](docs/usage.md) for samplesheet rules, destination semantics, remote configuration, and reproducible execution. The complete generated parameter reference is available on the [nf-core pipeline page](https://nf-co.re/datasync/parameters). diff --git a/docs/usage.md b/docs/usage.md index c498483..c3d20cf 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -68,7 +68,14 @@ An [example samplesheet](../assets/samplesheet.csv) is included in the repositor ## Configuring `rclone` remotes -The file supplied with `--rclone_config` uses rclone's INI-style format. Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. One file may contain several sections, so other cloud-to-cloud transfers can define both providers in the same file, but provider-specific options should be taken from the relevant rclone documentation rather than inferred from the S3 example: +The file supplied with `--rclone_config` uses `rclone`'s INI-style format. + +Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. + +> [!NOTE] +> The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. + +One file may contain several sections, so other cloud-to-cloud transfers can define both providers in the same file, but provider-specific options should be taken from the relevant `rclone` documentation. This is an example using S3: ```text source_s3:incoming/run_001 @@ -105,18 +112,18 @@ secret_access_key = YOUR_SECRET_ACCESS_KEY region = eu-central-1 ``` -The corresponding input values could be `source_s3:incoming/run_001` and `institutional_s3:project/run_002`. Provider-specific settings vary: consult the [rclone S3 documentation](https://rclone.org/s3/) and your storage provider's endpoint, region, addressing-style, and credential documentation rather than copying example values unchanged. +The corresponding input values could be `source_s3:incoming/run_001` and `institutional_s3:project/run_002`. Provider-specific settings vary: consult the [`rclone` S3 documentation](https://rclone.org/s3/) and your storage provider's endpoint, region, addressing-style, and credential documentation rather than copying example values unchanged. -The pipeline also accepts an `s3://bucket/path` source or destination. In that form, ensure credentials and provider settings are available to both Nextflow and rclone in the execution environment. A named remote such as `source_s3:bucket/path` makes the selected configuration section explicit and is preferable when a config file contains multiple S3 providers. +The pipeline also accepts an `s3://bucket/path` source or destination. In that form, ensure credentials and provider settings are available to both Nextflow and `rclone` in the execution environment. A named remote such as `source_s3:bucket/path` makes the selected configuration section explicit and is preferable when a config file contains multiple S3 providers. ## Destination layout The pipeline preserves the source basename: -- for a file source, rclone copies the file into `output_path`, and validation expects `output_path/`; +- for a file source, `rclone` copies the file into `output_path`, and validation expects `output_path/`; - for a directory source, the pipeline appends the source directory name, so `/data/run_001` with `output_path=/archive/runs` is copied and checked at `/archive/runs/run_001`. -A trailing slash on `output_path` is removed before these paths are constructed. Ensure that a destination does not already contain unrelated files: post-copy validation uses `rclone check --one-way`, which checks that source content exists and matches at the destination while tolerating destination-only files. +A trailing slash on `output_path` is removed before these paths are constructed. Ensure that a destination does not already contain unrelated files: post-copy validation uses `rclone check --one-way`, which checks that source content exists and matches at the destination while tolerating destination-only files. You can override this behavior by providing your own config file with external arguments for `rclone check`. ## Running the pipeline @@ -199,7 +206,7 @@ Do not use `-c` for pipeline parameters. Use it only for Nextflow executor, reso ### Common integrity outcomes -The workflow is designed to collect rclone reports even when rclone detects differences. The table below summarises common edge cases and how to interpret them in the published reports and MultiQC. +The workflow is designed to collect `rclone` reports even when `rclone` detects differences. The table below summarises common edge cases and how to interpret them in the published reports and MultiQC. | Situation | Where it is detected | Report status | Pipeline behaviour and action | | ------------------------------------------------------------------ | ---------------------------------------------------------------- | --------------------------------- | --------------------------------------------------------------------------------------------------------------------------------------------------- | @@ -215,7 +222,7 @@ The workflow is designed to collect rclone reports even when rclone detects diff ### Including or excluding files -Filter files by passing additional rclone filter flags to the relevant rclone module through a Nextflow configuration file. Rclone supports flags such as `--include`, `--exclude`, `--filter`, `--files-from`, and related rule files; see the [rclone filtering documentation](https://rclone.org/filtering/) for rule syntax and ordering. +Filter files by passing additional `rclone` filter flags to the relevant rclone module through a Nextflow configuration file. `rclone` supports flags such as `--include`, `--exclude`, `--filter`, `--files-from`, and related rule files; see the [`rclone` filtering documentation](https://rclone.org/filtering/) for rule syntax and ordering. For example, to copy and check only FASTQ files while excluding temporary files, create a small infrastructure config: @@ -254,11 +261,11 @@ process { } ``` -Run it with `-c rclone_filters.config` in addition to your normal profile and parameters. Because `ext.args` overrides module defaults, include the default rclone flags you still need when adding filters. Keep checksum manifests consistent with the same filtering rules: if a file is intentionally excluded from copy/check, remove it from the checksum manifest or generate a manifest for only the included files. +Run it with `-c rclone_filters.config` in addition to your normal profile and parameters. Because `ext.args` overrides module defaults, include the default `rclone` flags you still need when adding filters. Keep checksum manifests consistent with the same filtering rules: if a file is intentionally excluded from copy/check, remove it from the checksum manifest or generate a manifest for only the included files. ## Understanding completion and integrity -For each row, the pipeline first validates supplied checksum manifests, performs the copy, and then compares source and destination. Rclone comparison commands write status reports even when differences are found, allowing all results to be collected in MultiQC. Therefore, a successful Nextflow run means the workflow completed; it does **not by itself** prove every object matched. Review `multiqc/multiqc_report.html` and the reports under `rclone/`, especially lines marked `-`, `+`, `*`, or `!` (see [output documentation](output.md)). +For each row, the pipeline first validates supplied checksum manifests, performs the copy, and then compares source and destination. `rclone` comparison commands write status reports even when differences are found, allowing all results to be collected in MultiQC. Therefore, a successful Nextflow run means the workflow completed; it does **not by itself** prove every object matched. Review `multiqc/multiqc_report.html` and the reports under `rclone/`, especially lines marked `-`, `+`, `*`, or `!` (see [output documentation](output.md)). ### Reproducibility From 35778f5c1634edc538ff9e3e79a8acd5dae8fbed Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Tue, 28 Jul 2026 12:15:50 -0300 Subject: [PATCH 57/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 0690703..e8ba9cd 100644 --- a/README.md +++ b/README.md @@ -31,7 +31,7 @@ 3. compares the copied data with the source using [`rclone check`](https://rclone.org/commands/rclone_check/); and 4. produces detailed `rclone` status files and a consolidated MultiQC report. -Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. +Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. The current tested use case for this pipeline is transfer between S3 buckets. From 3c365be12d60fed716ac4d8e86edeb80fd77ba53 Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Tue, 28 Jul 2026 12:19:09 -0300 Subject: [PATCH 58/59] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index e8ba9cd..ce077c1 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Sources and destinations may be local paths, HTTP(S) URLs, or rclone-supported remote storage such as Amazon S3, S3-compatible object storage, or Azure Blob Storage. -The current tested use case for this pipeline is transfer between S3 buckets. +The current tested use case for this pipeline is transfer between S3 buckets. Pass an `rclone` configuration with `--rclone_config` whenever a source or destination needs a configured remote, endpoint, or credentials. A single configuration file can contain separate named remotes for multiple providers; for non-S3 layouts, design and validate the provider-specific configuration using the upstream [rclone documentation](https://rclone.org/docs/). From 71318c9891bf22507710df3b9e6017950d593abc Mon Sep 17 00:00:00 2001 From: Maria Antonia Saracco Date: Tue, 28 Jul 2026 12:20:22 -0300 Subject: [PATCH 59/59] Update usage.md --- docs/usage.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index c3d20cf..2e7c6fb 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -68,12 +68,12 @@ An [example samplesheet](../assets/samplesheet.csv) is included in the repositor ## Configuring `rclone` remotes -The file supplied with `--rclone_config` uses `rclone`'s INI-style format. +The file supplied with `--rclone_config` uses `rclone`'s INI-style format. -Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. +Each `[name]` section defines a remote, and samplesheet paths refer to it as `name:path`. The remote name is an arbitrary local label; it does not need to match the provider or bucket name. > [!NOTE] -> The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. +> The pipeline's documented and tested configuration pattern is S3-to-S3 transfer. One file may contain several sections, so other cloud-to-cloud transfers can define both providers in the same file, but provider-specific options should be taken from the relevant `rclone` documentation. This is an example using S3: @@ -123,7 +123,7 @@ The pipeline preserves the source basename: - for a file source, `rclone` copies the file into `output_path`, and validation expects `output_path/`; - for a directory source, the pipeline appends the source directory name, so `/data/run_001` with `output_path=/archive/runs` is copied and checked at `/archive/runs/run_001`. -A trailing slash on `output_path` is removed before these paths are constructed. Ensure that a destination does not already contain unrelated files: post-copy validation uses `rclone check --one-way`, which checks that source content exists and matches at the destination while tolerating destination-only files. You can override this behavior by providing your own config file with external arguments for `rclone check`. +A trailing slash on `output_path` is removed before these paths are constructed. Ensure that a destination does not already contain unrelated files: post-copy validation uses `rclone check --one-way`, which checks that source content exists and matches at the destination while tolerating destination-only files. You can override this behavior by providing your own config file with external arguments for `rclone check`. ## Running the pipeline