caper 0.1.8

Cromwell Assisted Pipeline ExecutoR

Caper

Caper (Cromwell Assisted Pipeline ExecutoR) is a wrapper Python package for Cromwell.

Introduction

Caper is based on Unix and cloud platform CLIs (curl, gsutil and aws) and provides easier way of running Cromwell server/run modes by automatically composing necessary input files for Cromwell. Also, Caper supports easy automatic file transfer between local/cloud storages (local path, s3://, gs:// and http(s)://). You can use these URIs in input JSON file or for a WDL file itself.

Features

• Similar CLI: Caper has a similar CLI as Cromwell.

• Built-in backends: You don't need your own backend configuration file. Caper provides built-in backends.

• Automatic transfer between local/cloud storages: You can use URIs (e.g. gs://, http:// and s3://) instead of paths in a command line arguments, also in your input JSON file. Files associated with these URIs will be automatically transfered to a specified temporary directory on a target remote storage.

• Deepcopy for input JSON file: Recursively copy all data files in (.json, .tsv and .csv) to a target remote storage.

• Docker/Singularity integration: You can run a WDL workflow in a specifed docker/singularity container.

• MySQL database integration: We provide shell scripts to run a MySQL database server in a docker/singularity container. Using Caper with MySQL database will allow you to use Cromwell's call-caching to re-use outputs from previous successful tasks. This will be useful to resume a failed workflow where it left off.

• One configuration file for all: You may not want to repeat writing same command line parameters for every pipeline run. Define parameters in a configuration file at ~/.caper/default.conf.

• One server for six backends: Built-in backends allow you to submit pipelines to any local/remote backend specified with -b or --backend.

• Cluster engine support: SLURM, SGE and PBS are currently supported locally.

• Easy workflow management: Find all workflows submitted to a Cromwell server by workflow IDs (UUIDs) or str_label (special label for a workflow submitted by Caper submit and run). You can define multiple keywords with wildcards (* and ?) to search for matching workflows. Abort, release hold, retrieve metadata JSON for them.

• Automatic subworkflow packing: Caper automatically creates an archive (imports.zip) of all imports and send it to Cromwell server/run.

• Special label (str_label): You have a string label, specified with -s or --str-label, for your workflow so that you can search for your workflow by this label instead of Cromwell's workflow UUID (e.g. f12526cb-7ed8-4bfa-8e2e-a463e94a61d0).

Installation

Make sure that you have python3(> 3.4.1) installed on your system. Use pip to install Caper.

$ pip install caper

Or git clone this repo and manually add bin/ to your environment variable PATH in your BASH startup scripts (~/.bashrc).

$ git clone https://github.com/ENCODE-DCC/caper
$ echo "export PATH=\"\$PATH:$PWD/caper/bin\"" >> ~/.bashrc

Usage

There are 7 subcommands available for Caper. Except for run other subcommands work with a running Cromwell server, which can be started with server subcommand. server does not require a positional argument. WF_ID (workflow ID) is a UUID generated from Cromwell to identify a workflow. STR_LABEL is Caper's special string label to be used to identify a workflow.

Subcommand	Positional args	Description
server		Run a Cromwell server with built-in backends
run	WDL	Run a single workflow
submit	WDL	Submit a workflow to a Cromwell server
abort	WF_ID or STR_LABEL	Abort submitted workflows on a Cromwell server
unhold	WF_ID or STR_LABEL	Release hold of workflows on a Cromwell server
list	WF_ID or STR_LABEL	List submitted workflows on a Cromwell server
metadata	WF_ID or STR_LABEL	Retrieve metadata JSONs for workflows

Examples:

• run: To run a single workflow. Add --hold to put an hold to submitted workflows.

   $ caper run [WDL] -i [INPUT_JSON]
  

• server: To start a server

   $ caper server
  

• submit: To submit a workflow to a server. -s is optional but useful for other subcommands to find submitted workflow with matching string label.

   $ caper submit [WDL] -i [INPUT_JSON] -s [STR_LABEL]
  

• list: To show list of all workflows submitted to a cromwell server. Wildcard search with using * and ? is allowed for such label for the following subcommands with STR_LABEL.

   $ caper list [WF_ID or STR_LABEL]
  

• Other subcommands: Other subcommands work similar to list. It does a corresponding action for matched workflows.

Configuration file

Caper automatically creates a default configuration file at ~/.caper/default.conf. Such configruation file comes with all available parameters commented out. You can uncomment/define any parameter to activate it.

You can avoid repeatedly defining same parameters in your command line arguments by using a configuration file. For example, you can define out_dir and tmp_dir in your configuration file instead of defining them in command line arguments.

$ caper run [WDL] --out-dir [LOCAL_OUT_DIR] --tmp-dir [LOCAL_TMP_DIR]

Equivalent settings in a configuration file.

[defaults]

out-dir=[LOCAL_OUT_DIR]
tmp-dir=[LOCAL_TMP_DIR]

Before running it

Run Caper to generate a default configuration file.

$ caper

How to run it on a local computer

Define two important parameters in your default configuration JSON file (~/.caper/default.json).

# directory to store all outputs
out-dir=[LOCAL_OUT_DIR]

# temporary directory for Caper
# lots of temporary files will be created and stored here
# e.g. backend.conf, workflow_opts.json, input.json, labels.json
# don't use /tmp
tmp-dir=[LOCAL_TMP_DIR]

Run Caper. --deepcopy is optional for remote (http://, gs://, s3://, ...) INPUT_JSON file.

$ caper run [WDL] -i [INPUT_JSON] --deepcopy

How to run it on Google Cloud Platform (GCP)

Install gsutil. Configure for gcloud and gsutil.

Define three important parameters in your default configuration JSON file (~/.caper/default.json).

# your project name on Google Cloud platform
gcp-project=YOUR_PRJ_NAME

# directory to store all outputs
out-gcs-bucket=gs://YOUR_OUTPUT_ROOT_BUCKET/ANY/WHERE

# temporary bucket directory for Caper
tmp-gcs-bucket=gs://YOUR_TEMP_BUCKET/SOME/WHERE

Run Caper. --deepcopy is optional for remote (local, http://, s3://, ...) INPUT_JSON file.

$ caper run [WDL] -i [INPUT_JSON] --backend gcp --deepcopy

How to run it on AWS

Install AWS CLI. Configure for AWS.

Define three important parameters in your default configuration JSON file (~/.caper/default.json).

# ARN for your AWS Batch
aws-batch-arn=ARN_FOR_YOUR_AWS_BATCH

# directory to store all outputs
out-s3-bucket=s3://YOUR_OUTPUT_ROOT_BUCKET/ANY/WHERE

# temporary bucket directory for Caper
tmp-s3-bucket=s3://YOUR_TEMP_BUCKET/SOME/WHERE

Run Caper. --deepcopy is optional for remote (http://, gs://, local, ...) INPUT_JSON file.

$ caper run [WDL] -i [INPUT_JSON] --backend aws --deepcopy

How to run it on SLURM cluster

Define five important parameters in your default configuration JSON file (~/.caper/default.json).

# directory to store all outputs
out-dir=[LOCAL_OUT_DIR]

# temporary directory for Caper
# lots of temporary files will be created and stored here
# e.g. backend.conf, workflow_opts.json, input.json, labels.json
# don't use /tmp
tmp-dir=[LOCAL_TMP_DIR]

# SLURM partition if required (e.g. on Stanford Sherlock)
slurm-partition=YOUR_PARTITION

# SLURM account if required (e.g. on Stanford SCG4)
slurm-account=YOUR_ACCOUMT

# You may not need to specify the above two
# since most SLURM clusters have default rules for partition/account

# server mode
# port is 8000 by default. but if it's already taken 
# then try other ports like 8001
port=8000

Run Caper. --deepcopy is optional for remote (http://, gs://, s3://, ...) INPUT_JSON file.

$ caper run [WDL] -i [INPUT_JSON] --backend slurm --deepcopy

Or run a Cromwell server with Caper. Make sure to keep server's SSH session alive. If there is any conflicting port. Change port in your default configuration JSON file.

$ caper server

On HPC cluster with Singularity installed, run Caper with a Singularity container if that is defined inside WDL.

$ caper run [WDL] -i [INPUT_JSON] --backend slurm --deepcopy --use-singularity

Or specify your own Singularity container.

$ caper run [WDL] -i [INPUT_JSON] --backend slurm --deepcopy --singularity [YOUR_SINGULARITY_IMAGE]

Then submit pipelines to the server.

$ caper submit [WDL] -i [INPUT_JSON] --deepcopy -p [PORT]

How to run it on SGE cluster

Define four important parameters in your default configuration JSON file (~/.caper/default.json).

# directory to store all outputs
out-dir=[LOCAL_OUT_DIR]

# temporary directory for Caper
# lots of temporary files will be created and stored here
# e.g. backend.conf, workflow_opts.json, input.json, labels.json
# don't use /tmp
tmp-dir=[LOCAL_TMP_DIR]

# SGE PE
sge-pe=YOUR_PARALLEL_ENVIRONMENT

# server mode
# port is 8000 by default. but if it's already taken 
# then try other ports like 8001
port=8000

Run Caper. --deepcopy is optional for remote (http://, gs://, s3://, ...) INPUT_JSON file.

$ caper run [WDL] -i [INPUT_JSON] --backend sge --deepcopy

Or run a Cromwell server with Caper. Make sure to keep server's SSH session alive. If there is any conflicting port. Change port in your default configuration JSON file.

$ caper server

Then submit pipelines to the server.

$ caper submit [WDL] -i [INPUT_JSON] --deepcopy -p [PORT]

How to resume a failed workflow

You need to set up a [MySQL database server](DETAILS.md/#MySQL server) to use Cromwell's call-caching feature, which allows a failed workflow to start from where it left off. Use the same command line that you used to start a workflow then Caper will automatically skip tasks that are already done successfully.

Make sure you have Docker or Singularity installed on your system. Singularity does not require super-user privilege to be installed.

Configure for MySQL DB in a default configuration file ~/.caper/default.conf.

# MySQL DB port
# try other port if already taken
mysql-db-port=3307

DB_DIR is a directory to be used as a DB storage. Create an empty directory if it's for the first time. DB_PORT is a MySQL DB port. If there is any conflict use other ports.

1. Docker

   $ run_mysql_server_docker.sh [DB_DIR] [DB_PORT]
   

2. Singularity

   $ run_mysql_server_singularity.sh [DB_DIR] [DB_PORT]
   

Using Conda?

Just activate your CONDA_ENV before running Caper (both for run and server modes).

$ conda activate [COND_ENV]

DETAILS

See details.