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cwl_engine.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
# Copyright 2020-2021 Barcelona Supercomputing Center (BSC), Spain
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
from __future__ import absolute_import
import json
import re
import shutil
import stat
import subprocess
import tempfile
import venv
import jsonpath_ng
import jsonpath_ng.ext
import yaml
from .common import *
from .container import NoContainerFactory
from .engine import WORKDIR_STDOUT_FILE, WORKDIR_STDERR_FILE, STATS_DAG_DOT_FILE
from .engine import WorkflowEngine, WorkflowEngineException
from .singularity_container import SingularityContainerFactory
# Next methods are borrowed from
# https://github.com/common-workflow-language/cwltool/blob/5bdb3d3dd47d8d1b3a1685220b4b6ce0f94c055e/cwltool/singularity.py#L83
def _normalize_image_id(string: str) -> str:
return string.replace("/", "_") + ".img"
def _normalize_sif_id(string: str) -> str:
return string.replace("/", "_") + ".sif"
class CWLWorkflowEngine(WorkflowEngine):
CWLTOOL_PYTHON_PACKAGE = 'cwltool'
CWL_UTILS_PYTHON_PACKAGE = 'cwl-utils'
SCHEMA_SALAD_PYTHON_PACKAGE = 'schema-salad'
CWL_REPO = 'https://github.com/common-workflow-language/'
CWLTOOL_REPO = CWL_REPO + CWLTOOL_PYTHON_PACKAGE
CWL_UTILS_REPO = CWL_REPO + CWL_UTILS_PYTHON_PACKAGE
DEFAULT_CWLTOOL_VERSION = '3.0.20210319143721'
DEVEL_CWLTOOL_PACKAGE = 'git+{}.git'.format(CWLTOOL_REPO)
# Set this constant to something meaningful only when a hotfix
# between releases is needed
# DEVEL_CWLTOOL_VERSION = '8bdc1529fd49ccdfa4734daa6646bcf5f1a65cba'
DEVEL_CWLTOOL_VERSION = None
DEFAULT_CWL_UTILS_VERSION = '0.9'
DEFAULT_SCHEMA_SALAD_VERSION = '7.1.20210309094900'
NODEJS_SINGULARITY_WRAPPER = 'nodejs_singularity_wrapper.bash'
ENGINE_NAME = 'cwl'
def __init__(self,
cacheDir=None,
workflow_config=None,
local_config=None,
engineTweaksDir=None,
cacheWorkflowDir=None,
workDir=None,
outputsDir=None,
outputMetaDir=None,
intermediateDir=None,
tempDir=None,
config_directory=None
):
super().__init__(cacheDir=cacheDir, workflow_config=workflow_config, local_config=local_config,
engineTweaksDir=engineTweaksDir, cacheWorkflowDir=cacheWorkflowDir,
workDir=workDir, outputsDir=outputsDir, intermediateDir=intermediateDir,
outputMetaDir=outputMetaDir, tempDir=tempDir,
config_directory=config_directory)
# Getting a fixed version of the engine
toolsSect = local_config.get('tools', {})
engineConf = toolsSect.get(self.ENGINE_NAME, {})
workflowEngineConf = workflow_config.get(self.ENGINE_NAME, {})
cwl_version = workflowEngineConf.get('version')
if cwl_version is None:
cwl_version = engineConf.get('version', self.DEFAULT_CWLTOOL_VERSION)
self.cwl_version = cwl_version
# Setting up packed directory
self.cacheWorkflowPackDir = os.path.join(self.cacheWorkflowDir, 'wf-pack')
os.makedirs(self.cacheWorkflowPackDir, exist_ok=True)
@classmethod
def WorkflowType(cls) -> WorkflowType:
return WorkflowType(
engineName=cls.ENGINE_NAME,
name='Common Workflow Language',
clazz=cls,
uriMatch=[re.compile(r'^https://w3id\.org/cwl/')],
uriTemplate=r'https://w3id.org/cwl/{}/',
url='https://www.commonwl.org/',
trs_descriptor='CWL',
rocrate_programming_language='#cwl'
)
def identifyWorkflow(self, localWf: LocalWorkflow, engineVer: EngineVersion = None) -> Tuple[EngineVersion, LocalWorkflow]:
"""
This method should return the effective engine version needed
to run it when this workflow engine recognizes the workflow type
"""
cwlPath = localWf.dir
if localWf.relPath is not None:
cwlPath = os.path.join(cwlPath, localWf.relPath)
# Is this a yaml?
cwlVersion = None
try:
with open(cwlPath, mode="r", encoding="utf-8") as pCWL:
wf_yaml = yaml.safe_load(pCWL) # parse possible CWL
cwlVersion = wf_yaml.get('cwlVersion')
except Exception as e:
self.logger.warning('Unable to process CWL entrypoint {} {}'.format(cwlPath, e))
if cwlVersion is None:
return None, None
newLocalWf = LocalWorkflow(dir=localWf.dir, relPath=localWf.relPath,
effectiveCheckout=localWf.effectiveCheckout, langVersion=cwlVersion)
# TODO: Check best version of the engine
if localWf.relPath is not None:
engineVer = self.cwl_version
if engineVer is None:
engineVer = self.cwl_version
return engineVer, newLocalWf
def materializeEngineVersion(self, engineVersion: EngineVersion) -> Tuple[EngineVersion, EnginePath, Fingerprint]:
"""
Method to ensure the required engine version is materialized
It should raise an exception when the exact version is unavailable,
and no replacement could be fetched
"""
if self.engine_mode != EngineMode.Local:
raise WorkflowEngineException(
'Unsupported engine mode {} for {} engine'.format(self.engine_mode, self.ENGINE_NAME))
if self.DEVEL_CWLTOOL_VERSION is not None:
cwltoolPackage = self.DEVEL_CWLTOOL_PACKAGE
cwltoolMatchOp = '@'
engineVersion = self.DEVEL_CWLTOOL_VERSION
else:
cwltoolPackage = self.CWLTOOL_PYTHON_PACKAGE
cwltoolMatchOp = '=='
# A version directory is needed
cwl_install_dir = os.path.join(self.weCacheDir, engineVersion)
# Creating the virtual environment needed to separate CWL code
# from workflow execution backend
if not os.path.isdir(cwl_install_dir):
venv.create(cwl_install_dir, with_pip=True)
# Let's be sure the nodejs wrapper, needed by cwltool
# is in place
node_wrapper_source_path = os.path.join(self.payloadsDir, self.NODEJS_SINGULARITY_WRAPPER)
node_wrapper_inst_path = os.path.join(cwl_install_dir, 'bin', 'node')
if not os.path.isfile(node_wrapper_inst_path):
shutil.copy2(node_wrapper_source_path, node_wrapper_inst_path)
# Assuring it has the permissions
if not os.access(node_wrapper_inst_path, os.X_OK):
os.chmod(node_wrapper_inst_path, stat.S_IREAD | stat.S_IEXEC)
# And the symlink from nodejs to node
nodejs_wrapper_inst_path = os.path.join(cwl_install_dir, 'bin', 'nodejs')
if not os.path.islink(nodejs_wrapper_inst_path):
os.symlink('node', nodejs_wrapper_inst_path)
# Now, time to run it
instEnv = dict(os.environ)
with tempfile.NamedTemporaryFile() as cwl_install_stdout:
with tempfile.NamedTemporaryFile() as cwl_install_stderr:
retVal = subprocess.Popen(
". '{0}'/bin/activate && pip install --upgrade pip wheel ; pip install {1}=={2} {3}=={4} {5}{6}{7}".format(
cwl_install_dir,
self.SCHEMA_SALAD_PYTHON_PACKAGE, self.DEFAULT_SCHEMA_SALAD_VERSION,
self.CWL_UTILS_PYTHON_PACKAGE, self.DEFAULT_CWL_UTILS_VERSION,
cwltoolPackage, cwltoolMatchOp, engineVersion),
stdout=cwl_install_stdout,
stderr=cwl_install_stderr,
cwd=cwl_install_dir,
shell=True,
env=instEnv
).wait()
# Proper error handling
if retVal != 0:
# Reading the output and error for the report
with open(cwl_install_stdout.name, "r") as c_stF:
cwl_install_stdout_v = c_stF.read()
with open(cwl_install_stderr.name, "r") as c_stF:
cwl_install_stderr_v = c_stF.read()
errstr = "Could not install CWL {} . Retval {}\n======\nSTDOUT\n======\n{}\n======\nSTDERR\n======\n{}".format(
engineVersion, retVal, cwl_install_stdout_v, cwl_install_stderr_v)
raise WorkflowEngineException(errstr)
# TODO
return engineVersion, cwl_install_dir, ""
def materializeWorkflow(self, matWorkflowEngine: MaterializedWorkflowEngine, offline: bool = False) -> Tuple[MaterializedWorkflowEngine, List[ContainerTaggedName]]:
"""
Method to ensure the workflow has been materialized. It returns the
localWorkflow directory, as well as the list of containers.
For Nextflow it is usually a no-op, but for CWL it requires resolution.
"""
localWf = matWorkflowEngine.workflow
localWorkflowDir = localWf.dir
if os.path.isabs(localWf.relPath):
localWorkflowFile = localWf.relPath
else:
localWorkflowFile = os.path.join(localWorkflowDir, localWf.relPath)
engineVersion = matWorkflowEngine.version
# CWLWorkflowEngine directory is needed
cwl_install_dir = matWorkflowEngine.engine_path
if not os.path.isfile(localWorkflowFile):
raise WorkflowEngineException(
'CWL workflow {} has not been materialized.'.format(localWorkflowFile))
# Extract hashes directories from localWorkflow
localWorkflowUsedHashes_head, localWorkflowUsedHashes_tail = localWorkflowDir.split("/")[-2:]
# Setting up workflow packed name
localWorkflowPackedName = (
os.path.join(localWorkflowUsedHashes_head, localWorkflowUsedHashes_tail) + ".cwl").replace("/", "_")
packedLocalWorkflowFile = os.path.join(self.cacheWorkflowPackDir, localWorkflowPackedName)
# TODO: check whether the repo is newer than the packed file
if not os.path.isfile(packedLocalWorkflowFile) or os.path.getsize(packedLocalWorkflowFile) == 0:
if offline:
raise WFException(
"Cannot allow to materialize packed CWL workflow in offline mode. Risk to access external content.")
# Execute cwltool --pack
with open(packedLocalWorkflowFile, mode='wb') as packedH:
with tempfile.NamedTemporaryFile() as cwl_pack_stderr:
# Writing straight to the file
retVal = subprocess.Popen(
". '{0}'/bin/activate && cwltool --no-doc-cache --pack {1}".format(cwl_install_dir,
localWorkflowFile),
stdout=packedH,
stderr=cwl_pack_stderr,
cwd=cwl_install_dir,
shell=True
).wait()
# Proper error handling
if retVal != 0:
# Reading the output and error for the report
with open(cwl_pack_stderr.name, "r") as c_stF:
cwl_pack_stderr_v = c_stF.read()
errstr = "Could not pack CWL running cwltool --pack {}. Retval {}\n======\nSTDERR\n======\n{}".format(
engineVersion, retVal, cwl_pack_stderr_v)
raise WorkflowEngineException(errstr)
containerTags = set()
# Getting the identifiers
cwlVersion = None
with open(packedLocalWorkflowFile, encoding='utf-8') as pLWH:
wf_yaml = yaml.safe_load(pLWH) # parse packed CWL
cwlVersion = wf_yaml.get('cwlVersion', 'v1.0')
dockerExprParser = jsonpath_ng.ext.parse('$."$graph"..requirements[?class = "DockerRequirement"][*]')
for match in dockerExprParser.find(wf_yaml):
dockerPullId = match.value.get('dockerPull')
# Fallback to dockerImageId if dockerPull was not set
# https://www.commonwl.org/v1.0/CommandLineTool.html#DockerRequirement
if dockerPullId is None:
dockerPullId = match.value.get('dockerImageId')
# TODO: treat other cases like dockerImport or dockerLoad?
containerTags.add(dockerPullId)
newLocalWf = LocalWorkflow(dir=localWf.dir, relPath=packedLocalWorkflowFile,
effectiveCheckout=localWf.effectiveCheckout, langVersion=cwlVersion)
newWfEngine = MaterializedWorkflowEngine(
instance=matWorkflowEngine.instance,
version=engineVersion,
fingerprint=matWorkflowEngine.fingerprint,
engine_path=cwl_install_dir,
workflow=newLocalWf
)
return newWfEngine, list(containerTags)
def simpleContainerFileName(self, imageUrl: URIType) -> RelPath:
"""
This method was borrowed from
https://github.com/common-workflow-language/cwltool/blob/5bdb3d3dd47d8d1b3a1685220b4b6ce0f94c055e/cwltool/singularity.py#L107
"""
# match = re.search(
# pattern=r"([a-z]*://)", string=imageUrl
# )
img_name = _normalize_image_id(imageUrl)
# candidates.append(img_name)
# sif_name = _normalize_sif_id(dockerRequirement["dockerPull"])
# candidates.append(sif_name)
return img_name
@staticmethod
def generateDotWorkflow(matWfEng: MaterializedWorkflowEngine, dagFile: AbsPath) -> None:
localWf = matWfEng.workflow
if os.path.isabs(localWf.relPath):
localWorkflowFile = localWf.relPath
else:
localWorkflowFile = os.path.join(localWf.dir, localWf.relPath)
engineVersion = matWfEng.version
cwl_install_dir = matWfEng.engine_path
# Execute cwltool --print-dot
with open(dagFile, mode='wb') as packedH:
with tempfile.NamedTemporaryFile() as cwl_dot_stderr:
# Writing straight to the file
retVal = subprocess.Popen(
". '{0}'/bin/activate && cwltool --print-dot {1}".format(cwl_install_dir, localWorkflowFile),
stdout=packedH,
stderr=cwl_dot_stderr,
cwd=cwl_install_dir,
shell=True
).wait()
# Proper error handling
if retVal != 0:
# Reading the output and error for the report
cwl_dot_stderr.seek(0)
cwl_dot_stderr_v = cwl_dot_stderr.read().decode('utf-8', errors='ignore')
errstr = "Could not generate CWL representation in dot format using cwltool --print-dot {}. Retval {}\n======\nSTDERR\n======\n{}".format(
engineVersion, retVal, cwl_dot_stderr_v)
raise WorkflowEngineException(errstr)
def launchWorkflow(self, matWfEng: MaterializedWorkflowEngine, matInputs: List[MaterializedInput],
outputs: List[ExpectedOutput]) -> Tuple[ExitVal, List[MaterializedInput], List[MaterializedOutput]]:
"""
Method to execute the workflow
"""
localWf = matWfEng.workflow
if os.path.isabs(localWf.relPath):
localWorkflowFile = localWf.relPath
else:
localWorkflowFile = os.path.join(localWf.dir, localWf.relPath)
engineVersion = matWfEng.version
dagFile = os.path.join(self.outputStatsDir, STATS_DAG_DOT_FILE)
if os.path.exists(localWorkflowFile):
# CWLWorkflowEngine directory is needed
cwl_install_dir = matWfEng.engine_path
# First, generate the graphical representation of the workflow
self.generateDotWorkflow(matWfEng, dagFile)
# Then, all the preparations
cwl_dict_inputs = dict()
with open(localWorkflowFile, "r") as cwl_file:
cwl_yaml = yaml.safe_load(cwl_file) # convert packed CWL to YAML
# As the workflow has been packed, the #main element appears
io_parser = jsonpath_ng.ext.parse('$."$graph"[?class = "Workflow"]')
cwl_yaml_inputs = None
cwl_yaml_outputs = None
wfId = None
wfIdPrefix = None
for match in io_parser.find(cwl_yaml):
wf = match.value
wfId = wf.get('id')
wfIdPrefix = '' if wfId is None else wfId + '/'
cwl_yaml_inputs = wf.get('inputs', [])
cwl_yaml_outputs = wf.get('outputs', [])
# Setting packed CWL inputs (id, type)
for cwl_yaml_input in cwl_yaml_inputs: # clean string of packed CWL inputs
cwl_yaml_input_id = str(cwl_yaml_input['id'])
# Validating
if cwl_yaml_input_id.startswith(wfIdPrefix):
inputId = cwl_yaml_input_id[len(wfIdPrefix):]
elif cwl_yaml_input_id[0] == '#':
inputId = cwl_yaml_input_id[1:]
else:
inputId = cwl_yaml_input_id
if inputId not in cwl_dict_inputs:
cwl_dict_inputs[inputId] = cwl_yaml_input
# TODO change the hardcoded filename
inputsFileName = "inputdeclarations.yaml"
yamlFile = os.path.join(self.workDir, inputsFileName)
try:
# Create YAML file
augmentedInputs = self.createYAMLFile(matInputs, cwl_dict_inputs, yamlFile)
if os.path.isfile(yamlFile):
# Execute workflow
stdoutFilename = os.path.join(self.outputMetaDir, WORKDIR_STDOUT_FILE)
stderrFilename = os.path.join(self.outputMetaDir, WORKDIR_STDERR_FILE)
with open(stdoutFilename, mode="ab+") as cwl_yaml_stdout:
with open(stderrFilename, mode="ab+") as cwl_yaml_stderr:
intermediateDir = self.intermediateDir + "/"
outputDir = self.outputsDir + "/"
# This is needed to teach cwltool where to find the cached images
instEnv = dict()
if isinstance(self.container_factory, SingularityContainerFactory):
cmdTemplate = "cwltool --outdir {0} --strict --no-doc-cache --disable-pull --singularity --tmp-outdir-prefix={1} --tmpdir-prefix={1} {2} {3}"
instEnv['CWL_SINGULARITY_CACHE'] = self.container_factory.cacheDir
instEnv['SINGULARITY_TMPDIR'] = self.tempDir
if self.writable_containers:
instEnv['SINGULARITY_WRITABLE'] = '1'
elif isinstance(self.container_factory, NoContainerFactory):
cmdTemplate = "cwltool --outdir {0} --strict --no-doc-cache --no-container --tmp-outdir-prefix={1} --tmpdir-prefix={1} {2} {3}"
else:
raise WorkflowEngineException("FATAL ERROR: Unsupported container factory {}".format(
self.container_factory.ContainerType()))
cmd = cmdTemplate.format(outputDir, intermediateDir, localWorkflowFile, yamlFile)
self.logger.debug("Command => {}".format(cmd))
retVal = subprocess.Popen(". '{0}'/bin/activate && {1}".format(cwl_install_dir, cmd),
stdout=cwl_yaml_stdout,
stderr=cwl_yaml_stderr,
cwd=self.workDir,
shell=True,
env=instEnv
).wait()
cwl_yaml_stdout.seek(0)
cwl_yaml_stdout_v = cwl_yaml_stdout.read().decode('utf-8', 'ignore')
# Proper error handling
try:
outputsMapping = json.loads(cwl_yaml_stdout_v)
cwl_yaml_stderr_v = ''
except json.JSONDecodeError as e:
outputsMapping = None
cwl_yaml_stderr_v = "Output cwltool JSON decode error: {}".format(e.msg)
if (outputsMapping is None) or retVal > 125:
# Reading the error for the report
cwl_yaml_stderr.seek(0)
cwl_yaml_stderr_v += cwl_yaml_stderr.read().decode('utf-8', 'ignore')
errstr = "[CWL] Failed running cwltool {}. Retval {}\n======\nSTDOUT\n======\n{}\n======\nSTDERR\n======\n{}".format(
engineVersion, retVal, cwl_yaml_stdout_v, cwl_yaml_stderr_v)
raise WorkflowEngineException(errstr)
# Reading the output for the report
matOutputs = self.identifyMaterializedOutputs(outputs, self.outputsDir, outputsMapping)
# FIXME: create augmentedInputs properly
return retVal, matInputs, matOutputs
except WorkflowEngineException as wfex:
raise wfex
except Exception as error:
raise WorkflowEngineException(
"ERROR: cannot execute the workflow {}, {}".format(localWorkflowFile, error)
)
else:
raise WorkflowEngineException(
'CWL workflow {} has not been successfully materialized and packed for their execution'.format(
localWorkflowFile)
)
def createYAMLFile(self, matInputs, cwlInputs, filename):
"""
Method to create a YAML file that describes the execution inputs of the workflow
needed for their execution. Return parsed inputs.
"""
try:
execInputs = self.executionInputs(matInputs, cwlInputs)
if len(execInputs) != 0:
with open(filename, mode="w+", encoding="utf-8") as yaml_file:
yaml.dump(execInputs, yaml_file, allow_unicode=True, default_flow_style=False, sort_keys=False)
return execInputs
else:
raise WorkflowEngineException(
"Dict of execution inputs is empty")
except IOError as error:
raise WorkflowEngineException(
"ERROR: cannot create YAML file {}, {}".format(filename, error))
def executionInputs(self, matInputs: List[MaterializedInput], cwlInputs):
"""
Setting execution inputs needed to execute the workflow
"""
if len(matInputs) == 0: # Is list of materialized inputs empty?
raise WorkflowEngineException("FATAL ERROR: Execution with no inputs")
if len(cwlInputs) == 0: # Is list of declared inputs empty?
raise WorkflowEngineException("FATAL ERROR: Workflow with no declared inputs")
execInputs = dict()
for matInput in matInputs:
if isinstance(matInput, MaterializedInput): # input is a MaterializedInput
# numberOfInputs = len(matInput.values) # number of inputs inside a MaterializedInput
for input_value in matInput.values:
name = matInput.name
value_type = cwlInputs.get(name, {}).get('type')
if value_type is None:
raise WorkflowEngineException("ERROR: input {} not available in workflow".format(name))
value = input_value
if isinstance(value, MaterializedContent): # value of an input contains MaterializedContent
if value.kind in (ContentKind.Directory, ContentKind.File):
if not os.path.exists(value.local):
self.logger.warning("Input {} is not materialized".format(name))
value_local = value.local
if isinstance(value_type, dict):
# MaterializedContent is a List of File and cwlInputs value_type is a dict
classType = value_type['items']
execInputs.setdefault(name, []).append({"class": classType, "location": value_local})
elif isinstance(value_type, list):
# MaterializedContent is a List of File and cwlInputs value_type is a list
classType = value_type[1]['items']
execInputs.setdefault(name, []).append({"class": classType, "location": value_local})
else: # MaterializedContent is a File
classType = value_type
execInputs[name] = {"class": classType, "location": value_local}
else:
raise WorkflowEngineException(
"ERROR: Input {} has values of type {} this code does not know how to handle".format(
name, value.kind))
else:
if isinstance(value_type, list): # argument is a list
if isinstance(value_type[1], dict) and value_type[1]['type'] == "array":
execInputs.setdefault(name, []).append(value)
else:
execInputs[name] = value # TODO add more value types
else:
execInputs[name] = value
return execInputs
@staticmethod
def executionOutputs(expectedOutputs, cwlOutputs):
"""
Setting execution outputs provenance
"""
execOutputs = dict()
if len(cwlOutputs.keys()) != 0: # dict of execution outputs is not empty
for out_rec in cwlOutputs.keys():
execOutputs[out_rec] = [
{"class": cwlOutputs[out_rec]['class'], "location": cwlOutputs[out_rec]['path']}]
if "secondaryFiles" in cwlOutputs[out_rec]:
secondaryFiles = cwlOutputs[out_rec]['secondaryFiles']
for secondaryFile in secondaryFiles:
execOutputs[out_rec].append(
{"class": secondaryFile['class'], "location": secondaryFile['path']})
# TODO is not a File
return execOutputs
else:
raise WorkflowEngineException("List of execution outputs is empty, {}".format(execOutputs))