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25 changes: 10 additions & 15 deletions README.md
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# aeDNA - a customizable Snakemake workflow for ancient environmental DNA

[![Snakemake](https://img.shields.io/badge/snakemake-≥9.0.0-brightgreen.svg)](https://snakemake.bitbucket.io)
[![Snakemake](https://img.shields.io/badge/snakemake-≥9.13.5-brightgreen.svg)](https://snakemake.bitbucket.io)
![CI](https://github.com/GeoGenetics/aeDNA/actions/workflows/ci.yml/badge.svg)

This workflow combines several modules to build a workflow for ancient environmental DNA (aeDNA) analyses and QC:
Expand Down Expand Up @@ -37,51 +37,46 @@ The easiet way to deploy `snakemake` is to [install pixi](https://pixi.sh/latest
* Missing values can be specified by empty columns or by writing `NA`.
* To facilitate things, the helper script `make_units.py` is provided that, from a list of FASTQ files, generates a folder structure with all necessary files to run (NB: always manually check files before running workflow!).

4. Define your `TOKEN`
```
export GITHUB_TOKEN=xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
```

#### Step 2: Test workflow

5. Test your configuration:
4. Test your configuration:

5.1. Perform a dry-run:
4.1. Perform a dry-run:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --dry-run
```

5.2. Confirm workflow analyses by checking the DAG:
4.2. Confirm workflow analyses by checking the DAG:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --dag | dot -Tsvg > dag.svg
```

5.3. Optionaly, create all needed `conda` environments beforehand:
4.3. Optionaly, create all needed `conda` environments beforehand:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --jobs 1 --conda-create-envs-only
```

#### Step 3: Execute workflow
6. Execute the workflow, using `$N` cores, either:
5. Execute the workflow, using `$N` cores, either:

6.1. locally:
5.1. locally:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --jobs $N --software-deployment-method conda
```

6.2. in a [SLURM](https://slurm.schedmd.com/overview.html) cluster environment:
5.2. in a [SLURM](https://slurm.schedmd.com/overview.html) cluster environment:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --jobs $N --software-deployment-method conda --executor slurm
```

6.3. Optionally, you can also use binaries from local modules, by adding `env-modules` to `--software-deployment-method`:
5.3. Optionally, you can also use binaries from local modules, by adding `env-modules` to `--software-deployment-method`:
```
pixi run snakemake [...] --software-deployment-method env-modules conda [...]
```

#### Step 4: Check results

7. After successful execution, you can create a self-contained interactive HTML report:
6. After successful execution, you can create a self-contained interactive HTML report:
```
pixi run snakemake --snakefile <path to Snakfile> --configfile config/config.yaml --report report.html
```
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