__author__ = "Johannes Köster" __copyright__ = "Copyright 2022, Johannes Köster" __email__ = "johannes.koester@uni-due.de" __license__ = "MIT" import asyncio import collections import copy import datetime import functools import json import os import re import shutil import stat import string import subprocess as sp import time from contextlib import contextmanager from hashlib import sha256 from inspect import isfunction, ismethod from itertools import chain, product from pathlib import Path from typing import Callable, Dict, Set from snakemake.common import DYNAMIC_FILL, ON_WINDOWS, async_run from snakemake.exceptions import ( MissingOutputException, RemoteFileException, WildcardError, WorkflowError, ) from snakemake.logging import logger class Mtime: __slots__ = ["_local", "_local_target", "_remote"] def __init__(self, local=None, local_target=None, remote=None): self._local = local self._local_target = local_target self._remote = remote def local_or_remote(self, follow_symlinks=False): if self._remote is not None: return self._remote if follow_symlinks and self._local_target is not None: return self._local_target return self._local def remote( self, ): return self._remote def local(self, follow_symlinks=False): if follow_symlinks and self._local_target is not None: return self._local_target return self._local def lutime(f, times): # In some cases, we have a platform where os.supports_follow_symlink includes stat() # but not utime(). This leads to an anomaly. In any case we never want to touch the # target of a link. if os.utime in os.supports_follow_symlinks: # ...utime is well behaved os.utime(f, times, follow_symlinks=False) elif not os.path.islink(f): # ...symlinks not an issue here os.utime(f, times) else: try: # try the system command if times: fmt_time = lambda sec: datetime.fromtimestamp(sec).strftime( "%Y%m%d%H%M.%S" ) atime, mtime = times sp.check_call(["touch", "-h", f, "-a", "-t", fmt_time(atime)]) sp.check_call(["touch", "-h", f, "-m", "-t", fmt_time(mtime)]) else: sp.check_call(["touch", "-h", f]) except sp.CalledProcessError: pass # ...problem system. Do nothing. logger.warning( "Unable to set utime on symlink {}. Your Python build does not support it.".format( f ) ) return None if os.chmod in os.supports_follow_symlinks: def lchmod(f, mode): os.chmod(f, mode, follow_symlinks=False) else: def lchmod(f, mode): os.chmod(f, mode) class ExistsDict(dict): def __init__(self, cache): super().__init__() self.cache = cache self.has_inventory = set() def __getitem__(self, path): # Always return False if not in dict. # The reason is that this is only called if the method contains below has returned True. # Hence, we already know that either path is in dict, or inventory has never # seen it, and hence it does not exist. return self.get(path, False) def __contains__(self, path): # if already in inventory, always return True. parent = path.get_inventory_parent() return parent in self.has_inventory or super().__contains__(path) class IOCache: def __init__(self, max_wait_time): self.mtime = dict() self.exists_local = ExistsDict(self) self.exists_remote = ExistsDict(self) self.size = dict() self.active = True self.remaining_wait_time = max_wait_time self.max_wait_time = max_wait_time def mtime_inventory(self, jobs): async_run(self._mtime_inventory(jobs)) async def _mtime_inventory(self, jobs, n_workers=8): queue = asyncio.Queue() stop_item = object() async def worker(queue): while True: item = await queue.get() if item is stop_item: queue.task_done() return # Avoid superfluously checking mtime as the same file might be # added multiple times to the queue. if item not in self.mtime: try: self.mtime[item] = await self.collect_mtime(item) except Exception as e: queue.task_done() raise e queue.task_done() tasks = [ asyncio.get_event_loop().create_task(worker(queue)) for _ in range(n_workers) ] for job in jobs: for f in chain(job.input, job.expanded_output): if f.exists: queue.put_nowait(f) if job.benchmark and job.benchmark.exists: queue.put_nowait(job.benchmark) # Send a stop item to each worker. for _ in range(n_workers): queue.put_nowait(stop_item) await asyncio.gather(*tasks) async def collect_mtime(self, path): return path.mtime_uncached def clear(self): self.mtime.clear() self.size.clear() self.exists_local.clear() self.exists_remote.clear() self.remaining_wait_time = self.max_wait_time def deactivate(self): self.clear() self.active = False def IOFile(file, rule=None): assert rule is not None f = _IOFile(file) f.rule = rule return f def _refer_to_remote(func: Callable): """ A decorator so that if the file is remote and has a version of the same file-related function, call that version instead. """ @functools.wraps(func) def wrapper(self: "_IOFile", *args, **kwargs): if self.is_remote: if hasattr(self.remote_object, func.__name__): return getattr(self.remote_object, func.__name__)(*args, **kwargs) return func(self, *args, **kwargs) return wrapper def iocache(func: Callable): @functools.wraps(func) def wrapper(self, *args, **kwargs): # self: _IOFile if self.rule.workflow.iocache.active: cache = getattr(self.rule.workflow.iocache, func.__name__) if self in cache: return cache[self] v = func(self, *args, **kwargs) cache[self] = v return v else: return func(self, *args, **kwargs) return wrapper class _IOFile(str): """ A file that is either input or output of a rule. """ __slots__ = ["_is_function", "_file", "rule", "_regex", "_wildcard_constraints"] def __new__(cls, file): is_annotated = isinstance(file, AnnotatedString) is_callable = ( isfunction(file) or ismethod(file) or (is_annotated and bool(file.callable)) ) if not is_callable and file.endswith("/"): # remove trailing slashes stripped = file.rstrip("/") if is_annotated: stripped = AnnotatedString(stripped) stripped.flags = file.flags file = stripped obj = str.__new__(cls, file) obj._is_function = is_callable obj._file = file obj.rule = None obj._regex = None obj._wildcard_constraints = None if obj.is_remote: obj.remote_object._iofile = obj return obj def new_from(self, new_value): new = str.__new__(self.__class__, new_value) new._is_function = self._is_function new._file = self._file new.rule = self.rule if new.is_remote: new.remote_object._iofile = new return new def inventory(self): async_run(self._inventory()) async def _inventory(self): """Starting from the given file, try to cache as much existence and modification date information of this and other files as possible. """ cache = self.rule.workflow.iocache if cache.active: tasks = [] if self.is_remote and self not in cache.exists_remote: # info not yet in inventory, let's discover as much as we can tasks.append(self.remote_object.inventory(cache)) if not ON_WINDOWS and self not in cache.exists_local: # we don't want to mess with different path representations on windows tasks.append(self._local_inventory(cache)) await asyncio.gather(*tasks) async def _local_inventory(self, cache): # for local files, perform BFS via os.scandir to determine existence of files if cache.remaining_wait_time <= 0: # No more time to create inventory. return start_time = time.time() folders = self.split("/")[:-1] if not folders: return if os.path.isabs(self): # For absolute paths, only use scan the immediate parent ancestors = [os.path.dirname(self)] else: ancestors = ["/".join(folders[:i]) for i in range(1, len(folders) + 1)] for i, path in enumerate(ancestors): if path in cache.exists_local.has_inventory: # This path was already scanned before, hence we can stop. break try: with os.scandir(path) as scan: for entry in scan: cache.exists_local[entry.path] = True cache.exists_local[path] = True cache.exists_local.has_inventory.add(path) except FileNotFoundError: # Not found, hence, all subfolders cannot be present as well for path in ancestors[i:]: cache.exists_local[path] = False cache.exists_local.has_inventory.add(path) break except PermissionError: raise WorkflowError( "Insufficient permissions to access {}. " "Please make sure that all accessed files and directories " "are readable and writable for you.".format(self) ) cache.remaining_wait_time -= time.time() - start_time @_refer_to_remote def get_inventory_parent(self): """If eligible for inventory, get the parent of a given path. This code does not work on local Windows paths, but inventory is disabled on Windows. """ parent = os.path.dirname(self) if parent and parent != "..": return parent @contextmanager def open(self, mode="r", buffering=-1, encoding=None, errors=None, newline=None): """Open this file. If necessary, download it from remote first. This can (and should) be used in a `with`-statement. """ if not self.exists: raise WorkflowError( f"File {self} cannot be opened, since it does not exist." ) if not self.exists_local and self.is_remote: self.download_from_remote() f = open(self) try: yield f finally: f.close() def contains_wildcard(self): return contains_wildcard(self.file) @property def is_remote(self): return is_flagged(self._file, "remote_object") @property def is_ancient(self): return is_flagged(self._file, "ancient") @property def is_directory(self): return is_flagged(self._file, "directory") @property def is_temp(self): return is_flagged(self._file, "temp") @property def is_multiext(self): return is_flagged(self._file, "multiext") @property def multiext_prefix(self): return get_flag_value(self._file, "multiext") def update_remote_filepath(self): # if the file string is different in the iofile, update the remote object # (as in the case of wildcard expansion) remote_object = self.remote_object if remote_object._file != self._file: remote_object._iofile = self @property def should_keep_local(self): return self.remote_object.keep_local @property def should_stay_on_remote(self): return self.remote_object.stay_on_remote @property def remote_object(self): return get_flag_value(self._file, "remote_object") @property @_refer_to_remote def file(self): if not self._is_function: return self._file else: raise ValueError( "This IOFile is specified as a function and " "may not be used directly." ) def check(self): hint = ( "It can also lead to inconsistent results of the file-matching " "approach used by Snakemake." ) if self._file.startswith("./"): logger.warning( "Relative file path '{}' starts with './'. This is redundant " "and strongly discouraged. {} You can simply omit the './' " "for relative file paths.".format(self._file, hint) ) if self._file.startswith(" "): logger.warning( "File path '{}' starts with whitespace. " "This is likely unintended. {}".format(self._file, hint) ) if self._file.endswith(" "): logger.warning( "File path '{}' ends with whitespace. " "This is likely unintended. {}".format(self._file, hint) ) if "\n" in self._file: logger.warning( "File path '{}' contains line break. " "This is likely unintended. {}".format(self._file, hint) ) if _double_slash_regex.search(self._file) is not None and not self.is_remote: logger.warning( "File path {} contains double '{}'. " "This is likely unintended. {}".format(self._file, os.path.sep, hint) ) @property def exists(self): if self.is_remote: return self.exists_remote else: return self.exists_local def parents(self, omit=0): """Yield all parent paths, omitting the given number of ancestors.""" for p in list(Path(self.file).parents)[::-1][omit:]: p = IOFile(str(p), rule=self.rule) p.clone_flags(self) yield p @property @iocache def exists_local(self): return os.path.exists(self.file) @property @iocache def exists_remote(self): if not self.is_remote: return False return self.remote_object.exists() @property def protected(self): """Returns True if the file is protected. Always False for symlinks.""" # symlinks are never regarded as protected return ( self.exists_local and not os.access(self.file, os.W_OK) and not os.path.islink(self.file) ) @property @iocache def mtime(self): return self.mtime_uncached @property def mtime_uncached(self): """Obtain mtime. Usually, this will be one stat call only. For symlinks and directories it will be two, for symlinked directories it will be three, for remote files it will additionally query the remote location. """ mtime_remote = self.remote_object.mtime() if self.is_remote else None # We first do a normal stat. try: _stat = os.stat(self.file, follow_symlinks=False) is_symlink = stat.S_ISLNK(_stat.st_mode) is_dir = stat.S_ISDIR(_stat.st_mode) mtime = _stat.st_mtime def get_dir_mtime(): # Try whether we have a timestamp file for it. return os.stat( os.path.join(self.file, ".snakemake_timestamp"), follow_symlinks=True, ).st_mtime if not is_symlink: if is_dir: try: mtime = get_dir_mtime() except FileNotFoundError: # No timestamp, hence go on as if it is a file. pass # In the usual case, not a dir, not a symlink. # We need just a single stat call. return Mtime(local=mtime, remote=mtime_remote) else: # In case of a symlink, we need the stats for the target file/dir. target_stat = os.stat(self.file, follow_symlinks=True) # Further, we need to check again if this is a directory. is_dir = stat.S_ISDIR(target_stat.st_mode) mtime_target = target_stat.st_mtime if is_dir: try: mtime_target = get_dir_mtime() except FileNotFoundError: # No timestamp, hence go on as if it is a file. pass return Mtime( local=mtime, local_target=mtime_target, remote=mtime_remote ) except FileNotFoundError: if self.is_remote: return Mtime(remote=mtime_remote) raise WorkflowError( "Unable to obtain modification time of file {} although it existed before. " "It could be that a concurrent process has deleted it while Snakemake " "was running.".format(self.file) ) except PermissionError: raise WorkflowError( "Unable to obtain modification time of file {} because of missing " "read permissions.".format(self.file) ) @property def flags(self): return getattr(self._file, "flags", {}) def is_fifo(self): """Return True if file is a FIFO according to the filesystem.""" return stat.S_ISFIFO(os.stat(self).st_mode) @property @iocache @_refer_to_remote def size(self): return self.size_local @property def size_local(self): # follow symlinks but throw error if invalid self.check_broken_symlink() return os.path.getsize(self.file) def is_checksum_eligible(self): return ( self.exists_local and not os.path.isdir(self.file) and self.size < 100000 and not self.is_fifo() ) def checksum(self, force=False): """Return checksum if file is small enough, else None. Returns None if file does not exist. If force is True, omit eligibility check.""" if force or self.is_checksum_eligible(): # less than 100000 bytes checksum = sha256() if self.size > 0: # only read if file is bigger than zero # otherwise the checksum is the same as taking hexdigest # from the empty sha256 as initialized above # This helps endless reading in case the input # is a named pipe or a socket or a symlink to a device like # /dev/random. with open(self.file, "rb") as f: checksum.update(f.read()) return checksum.hexdigest() else: return None def is_same_checksum(self, other_checksum, force=False): checksum = self.checksum(force=force) if checksum is None or other_checksum is None: # if no checksum available or files too large, not the same return False else: return checksum == other_checksum def check_broken_symlink(self): """Raise WorkflowError if file is a broken symlink.""" if not self.exists_local: try: if os.lstat(self.file): raise WorkflowError( f"File {self.file} seems to be a broken symlink." ) except FileNotFoundError as e: # there is no broken symlink present, hence all fine return @_refer_to_remote def is_newer(self, time): """Returns true of the file (which is an input file) is newer than time, or if it is a symlink that points to a file newer than time.""" if self.is_ancient: return False return self.mtime.local_or_remote(follow_symlinks=True) > time def download_from_remote(self): if self.is_remote and self.remote_object.exists(): if not self.should_stay_on_remote: logger.info(f"Downloading from remote: {self.file}") self.remote_object.download() logger.info("Finished download.") else: raise RemoteFileException( "The file to be downloaded does not seem to exist remotely." ) def upload_to_remote(self): if self.is_remote: logger.info(f"Uploading to remote: {self.file}") self.remote_object.upload() logger.info("Finished upload.") def prepare(self): path_until_wildcard = re.split(DYNAMIC_FILL, self.file)[0] dir = os.path.dirname(path_until_wildcard) if len(dir) > 0: try: os.makedirs(dir, exist_ok=True) except OSError as e: # ignore Errno 17 "File exists" (reason: multiprocessing) if e.errno != 17: raise e if is_flagged(self._file, "pipe"): os.mkfifo(self._file) def protect(self): mode = ( os.lstat(self.file).st_mode & ~stat.S_IWUSR & ~stat.S_IWGRP & ~stat.S_IWOTH ) # iterate over content if output is a directory if os.path.isdir(self.file): # topdown=False ensures we chmod first the content, then the dir itself for dirpath, dirnames, filenames in os.walk(self.file, topdown=False): # no need to treat differently directories or files for content in dirnames + filenames: lchmod(os.path.join(dirpath, content), mode) # protect explicit output itself lchmod(self.file, mode) def remove(self, remove_non_empty_dir=False): if self.is_directory: remove(self, remove_non_empty_dir=True) else: remove(self, remove_non_empty_dir=remove_non_empty_dir) def touch(self, times=None): """times must be 2-tuple: (atime, mtime)""" try: if self.is_directory: file = os.path.join(self.file, ".snakemake_timestamp") # Create the flag file if it doesn't exist if not os.path.exists(file): with open(file, "w"): pass lutime(file, times) else: lutime(self.file, times) except OSError as e: if e.errno == 2: raise MissingOutputException( "Output file {} of rule {} shall be touched but " "does not exist.".format(self.file, self.rule.name), lineno=self.rule.lineno, snakefile=self.rule.snakefile, ) else: raise e def touch_or_create(self): try: self.touch() except MissingOutputException: # first create directory if it does not yet exist dir = self.file if self.is_directory else os.path.dirname(self.file) if dir: os.makedirs(dir, exist_ok=True) # create empty file file = ( os.path.join(self.file, ".snakemake_timestamp") if self.is_directory else self.file ) with open(file, "w") as f: pass def apply_wildcards(self, wildcards, fill_missing=False, fail_dynamic=False): f = self._file if self._is_function: f = self._file(Namedlist(fromdict=wildcards)) # this bit ensures flags are transferred over to files after # wildcards are applied file_with_wildcards_applied = IOFile( apply_wildcards( f, wildcards, fill_missing=fill_missing, fail_dynamic=fail_dynamic, dynamic_fill=DYNAMIC_FILL, ), rule=self.rule, ) file_with_wildcards_applied.clone_flags(self) return file_with_wildcards_applied def get_wildcard_names(self): return get_wildcard_names(self.file) def regex(self): if self._regex is None: # compile a regular expression self._regex = re.compile(regex(self.file)) return self._regex def wildcard_constraints(self): if self._wildcard_constraints is None: self._wildcard_constraints = get_wildcard_constraints(self.file) return self._wildcard_constraints def constant_prefix(self): first_wildcard = _wildcard_regex.search(self.file) if first_wildcard: return self.file[: first_wildcard.start()] return self.file def constant_suffix(self): m = None for m in _wildcard_regex.finditer(self.file): pass last_wildcard = m if last_wildcard: return self.file[last_wildcard.end() :] return self.file def match(self, target): return self.regex().match(target) or None def format_dynamic(self): return self.replace(DYNAMIC_FILL, "{*}") def clone_flags(self, other): if isinstance(self._file, str): self._file = AnnotatedString(self._file) if isinstance(other._file, AnnotatedString) or isinstance(other._file, _IOFile): self._file.flags = getattr(other._file, "flags", {}).copy() if "remote_object" in self._file.flags: self._file.flags["remote_object"] = copy.copy( self._file.flags["remote_object"] ) self.update_remote_filepath() def clone_remote_object(self, other): if ( isinstance(other._file, AnnotatedString) and "remote_object" in other._file.flags ): self._file.flags["remote_object"] = copy.copy( other._file.flags["remote_object"] ) self.update_remote_filepath() def set_flags(self, flags): if isinstance(self._file, str): self._file = AnnotatedString(self._file) self._file.flags = flags def __eq__(self, other): f = other._file if isinstance(other, _IOFile) else other return self._file == f def __hash__(self): return self._file.__hash__() _double_slash_regex = ( re.compile(r"([^:]//|^//)") if os.path.sep == "/" else re.compile(r"\\\\") ) _wildcard_regex = re.compile( r""" \{ (?=( # This lookahead assertion emulates an 'atomic group' # which is required for performance \s*(?P\w+) # wildcard name (\s*,\s* (?P # an optional constraint ([^{}]+ | \{\d+(,\d+)?\})* # allow curly braces to nest one level ) # ... as in '{w,a{3,5}}' )?\s* ))\1 \} """, re.VERBOSE, ) def wait_for_files( files, latency_wait=3, force_stay_on_remote=False, ignore_pipe_or_service=False ): """Wait for given files to be present in the filesystem.""" files = list(files) def get_missing(): return [ f for f in files if not ( f.exists_remote if ( isinstance(f, _IOFile) and f.is_remote and (force_stay_on_remote or f.should_stay_on_remote) ) else os.path.exists(f) if not ( (is_flagged(f, "pipe") or is_flagged(f, "service")) and ignore_pipe_or_service ) else True ) ] missing = get_missing() if missing: logger.info(f"Waiting at most {latency_wait} seconds for missing files.") for _ in range(latency_wait): missing = get_missing() if not missing: return time.sleep(1) missing = "\n".join(get_missing()) raise IOError( f"Missing files after {latency_wait} seconds. This might be due to " "filesystem latency. If that is the case, consider to increase the " "wait time with --latency-wait:\n" f"{missing}" ) def get_wildcard_names(pattern): return set(match.group("name") for match in _wildcard_regex.finditer(pattern)) def contains_wildcard(path): return _wildcard_regex.search(str(path)) is not None def contains_wildcard_constraints(pattern): return any(match.group("constraint") for match in _wildcard_regex.finditer(pattern)) def remove(file, remove_non_empty_dir=False): if file.is_remote and file.should_stay_on_remote: if file.exists_remote: file.remote_object.remove() elif os.path.isdir(file) and not os.path.islink(file): if remove_non_empty_dir: shutil.rmtree(file) else: try: os.removedirs(file) except OSError as e: # skip non empty directories if e.errno == 39: logger.info(f"Skipped removing non-empty directory {e.filename}") else: logger.warning(str(e)) # Remember that dangling symlinks fail the os.path.exists() test, but # we definitely still want to zap them. try/except is the safest way. # Also, we don't want to remove the null device if it is an output. elif os.devnull != str(file): try: os.remove(file) except FileNotFoundError: pass def get_wildcard_constraints(pattern): constraints = {} for match in _wildcard_regex.finditer(pattern): if match.group("constraint"): constraints[match.group("name")] = re.compile(match.group("constraint")) return constraints def regex(filepattern): f = [] last = 0 wildcards = set() for match in _wildcard_regex.finditer(filepattern): f.append(re.escape(filepattern[last : match.start()])) wildcard = match.group("name") if wildcard in wildcards: if match.group("constraint"): raise ValueError( "Constraint regex must be defined only in the first " "occurence of the wildcard in a string." ) f.append(f"(?P={wildcard})") else: wildcards.add(wildcard) f.append( "(?P<{}>{})".format( wildcard, match.group("constraint") if match.group("constraint") else ".+", ) ) last = match.end() f.append(re.escape(filepattern[last:])) f.append("$") # ensure that the match spans the whole file return "".join(f) def apply_wildcards( pattern, wildcards, fill_missing=False, fail_dynamic=False, dynamic_fill=None, keep_dynamic=False, ): def format_match(match): name = match.group("name") try: value = wildcards[name] if fail_dynamic and value == dynamic_fill: raise WildcardError(name) return str(value) # convert anything into a str except KeyError as ex: if keep_dynamic: return f"{{{name}}}" elif fill_missing: return dynamic_fill else: raise WildcardError(str(ex)) return _wildcard_regex.sub(format_match, pattern) def not_iterable(value): return ( isinstance(value, str) or isinstance(value, dict) or not isinstance(value, collections.abc.Iterable) ) def is_callable(value): return ( callable(value) or (isinstance(value, _IOFile) and value._is_function) or (isinstance(value, AnnotatedString) and value.callable is not None) ) class AnnotatedString(str): def __init__(self, value): self.flags = dict() self.callable = value if is_callable(value) else None def new_from(self, new_value): new = str.__new__(self.__class__, new_value) new.flags = self.flags new.callable = self.callable return new def flag(value, flag_type, flag_value=True): if isinstance(value, AnnotatedString): value.flags[flag_type] = flag_value return value if not_iterable(value): value = AnnotatedString(value) value.flags[flag_type] = flag_value return value return [flag(v, flag_type, flag_value=flag_value) for v in value] def is_flagged(value, flag): if isinstance(value, AnnotatedString): return flag in value.flags and value.flags[flag] if isinstance(value, _IOFile): return flag in value.flags and value.flags[flag] return False def get_flag_value(value, flag_type): if isinstance(value, AnnotatedString) or isinstance(value, _IOFile): if flag_type in value.flags: return value.flags[flag_type] else: return None def ancient(value): """ A flag for an input file that shall be considered ancient; i.e. its timestamp shall have no effect on which jobs to run. """ return flag(value, "ancient") def directory(value): """ A flag to specify that output is a directory, rather than a file or named pipe. """ if is_flagged(value, "pipe"): raise SyntaxError("Pipe and directory flags are mutually exclusive.") if is_flagged(value, "remote"): raise SyntaxError("Remote and directory flags are mutually exclusive.") if is_flagged(value, "dynamic"): raise SyntaxError("Dynamic and directory flags are mutually exclusive.") return flag(value, "directory") def temp(value): """ A flag for an input or output file that shall be removed after usage. """ if is_flagged(value, "protected"): raise SyntaxError("Protected and temporary flags are mutually exclusive.") if is_flagged(value, "remote"): raise SyntaxError("Remote and temporary flags are mutually exclusive.") return flag(value, "temp") def pipe(value): if is_flagged(value, "protected"): raise SyntaxError("Pipes may not be protected.") if is_flagged(value, "remote"): raise SyntaxError("Pipes may not be remote files.") if ON_WINDOWS: logger.warning("Pipes are not yet supported on Windows.") return flag(value, "pipe", not ON_WINDOWS) def service(value): if is_flagged(value, "protected"): raise SyntaxError("Pipes may not be protected.") if is_flagged(value, "remote"): raise SyntaxError("Pipes may not be remote files.") return flag(value, "service") def temporary(value): """An alias for temp.""" return temp(value) def protected(value): """A flag for a file that shall be write-protected after creation.""" if is_flagged(value, "temp"): raise SyntaxError("Protected and temporary flags are mutually exclusive.") if is_flagged(value, "remote"): raise SyntaxError("Remote and protected flags are mutually exclusive.") return flag(value, "protected") def dynamic(value): """ A flag for a file that shall be dynamic, i.e. the multiplicity (and wildcard values) will be expanded after a certain rule has been run""" annotated = flag(value, "dynamic", True) tocheck = [annotated] if not_iterable(annotated) else annotated for file in tocheck: matches = list(_wildcard_regex.finditer(file)) # if len(matches) != 1: # raise SyntaxError("Dynamic files need exactly one wildcard.") for match in matches: if match.group("constraint"): raise SyntaxError( "The wildcards in dynamic files cannot be constrained." ) return annotated def touch(value): return flag(value, "touch") def ensure(value, non_empty=False, sha256=None): return flag(value, "ensure", {"non_empty": non_empty, "sha256": sha256}) def unpack(value): return flag(value, "unpack") def repeat(value, n_repeat): """Flag benchmark records with the number of repeats.""" return flag(value, "repeat", n_repeat) def checkpoint_target(value): return flag(value, "checkpoint_target") def sourcecache_entry(value, orig_path_or_uri): from snakemake.sourcecache import SourceFile assert not isinstance( orig_path_or_uri, SourceFile ), "bug: sourcecache_entry should recive a path or uri, not a SourceFile" return flag(value, "sourcecache_entry", orig_path_or_uri) ReportObject = collections.namedtuple( "ReportObject", ["caption", "category", "subcategory", "labels", "patterns", "htmlindex"], ) def report( value, caption=None, category=None, subcategory=None, labels=None, patterns=[], htmlindex=None, ): """Flag output file or directory as to be included into reports. In the case of a directory, files to include can be specified via a glob pattern (default: *). Arguments value -- File or directory. caption -- Path to a .rst file with a textual description of the result. category -- Name of the (optional) category in which the result should be displayed in the report. subcategory -- Name of the (optional) subcategory columns -- Dict of strings (may contain wildcard expressions) that will be used as columns when displaying result tables patterns -- Wildcard patterns for selecting files if a directory is given (this is used as input for snakemake.io.glob_wildcards). Pattern shall not include the path to the directory itself. """ return flag( value, "report", ReportObject(caption, category, subcategory, labels, patterns, htmlindex), ) def local(value): """Mark a file as a local file. This disables the application of a default remote provider. """ if is_flagged(value, "remote"): raise SyntaxError("Remote and local flags are mutually exclusive.") return flag(value, "local") def expand(*args, **wildcards): """ Expand wildcards in given filepatterns. Arguments *args -- first arg: filepatterns as list or one single filepattern, second arg (optional): a function to combine wildcard values (itertools.product per default) **wildcards -- the wildcards as keyword arguments with their values as lists. If allow_missing=True is included wildcards in filepattern without values will stay unformatted. """ filepatterns = args[0] if len(args) == 1: combinator = product elif len(args) == 2: combinator = args[1] if isinstance(filepatterns, str) or isinstance(filepatterns, Path): filepatterns = [filepatterns] def path_to_str(f): if isinstance(f, Path): return str(f) return f filepatterns = list(map(path_to_str, filepatterns)) if any(map(lambda f: getattr(f, "flags", {}), filepatterns)): raise WorkflowError( "Flags in file patterns given to expand() are invalid. " "Flags (e.g. temp(), directory()) have to be applied outside " "of expand (e.g. 'temp(expand(\"plots/{sample}.pdf\", sample=SAMPLES))')." ) # check if remove missing is provided format_dict = dict if "allow_missing" in wildcards and wildcards["allow_missing"] is True: class FormatDict(dict): def __missing__(self, key): return "{" + key + "}" format_dict = FormatDict # check that remove missing is not a wildcard in the filepatterns for filepattern in filepatterns: if "allow_missing" in re.findall(r"{([^}\.[!:]+)", filepattern): format_dict = dict break # raise error if function is passed as value for any wildcard for key, value in wildcards.items(): if callable(value): raise WorkflowError( f"Callable/function {value} is passed as value for {key} in 'expand' statement. " "This is most likely not what you want, as expand takes iterables of values or single values for " "its arguments. If you want to use a function to generate the values, you can wrap the entire " "expand in another function that does the computation." ) # remove unused wildcards to avoid duplicate filepatterns wildcards = { filepattern: { k: v for k, v in wildcards.items() if k in re.findall(r"{([^}\.[!:]+)", filepattern) } for filepattern in filepatterns } def flatten(wildcards): for wildcard, values in wildcards.items(): if isinstance(values, str) or not isinstance( values, collections.abc.Iterable ): values = [values] yield [(wildcard, value) for value in values] formatter = string.Formatter() try: return [ formatter.vformat(filepattern, (), comb) for filepattern in filepatterns for comb in map(format_dict, combinator(*flatten(wildcards[filepattern]))) ] except KeyError as e: raise WildcardError(f"No values given for wildcard {e}.") def multiext(prefix, *extensions): """Expand a given prefix with multiple extensions (e.g. .txt, .csv, _peaks.bed, ...).""" if any((r"/" in ext or r"\\" in ext) for ext in extensions): raise WorkflowError( r"Extensions for multiext may not contain path delimiters (/,\)." ) return [flag(prefix + ext, "multiext", flag_value=prefix) for ext in extensions] def limit(pattern, **wildcards): """ Limit wildcards to the given values. Arguments: **wildcards -- the wildcards as keyword arguments with their values as lists """ return pattern.format( **{ wildcard: "{{{},{}}}".format(wildcard, "|".join(values)) for wildcard, values in wildcards.items() } ) def glob_wildcards(pattern, files=None, followlinks=False): """ Glob the values of the wildcards by matching the given pattern to the filesystem. Returns a named tuple with a list of values for each wildcard. """ pattern = os.path.normpath(pattern) first_wildcard = re.search("{[^{]", pattern) dirname = ( os.path.dirname(pattern[: first_wildcard.start()]) if first_wildcard else os.path.dirname(pattern) ) if not dirname: dirname = "." names = [match.group("name") for match in _wildcard_regex.finditer(pattern)] Wildcards = collections.namedtuple("Wildcards", names) wildcards = Wildcards(*[list() for name in names]) pattern = re.compile(regex(pattern)) if files is None: files = ( os.path.normpath(os.path.join(dirpath, f)) for dirpath, dirnames, filenames in os.walk( dirname, followlinks=followlinks ) for f in chain(filenames, dirnames) ) for f in files: match = re.match(pattern, f) if match: for name, value in match.groupdict().items(): getattr(wildcards, name).append(value) return wildcards def update_wildcard_constraints( pattern, wildcard_constraints: Dict[str, str], global_wildcard_constraints: Dict[str, str], ): """Update wildcard constraints Args: pattern (str): pattern on which to update constraints wildcard_constraints (dict): dictionary of wildcard:constraint key-value pairs global_wildcard_constraints (dict): dictionary of wildcard:constraint key-value pairs """ def replace_constraint(match: re.Match): name = match.group("name") constraint = match.group("constraint") newconstraint = wildcard_constraints.get( name, global_wildcard_constraints.get(name) ) if name in examined_names: return match.group(0) examined_names.add(name) # Don't override if constraint already set if constraint is not None: return match.group(0) # Only update if a new constraint has actually been set elif newconstraint is not None: return f"{{{name},{newconstraint}}}" else: return match.group(0) examined_names: Set[str] = set() updated = _wildcard_regex.sub(replace_constraint, pattern) # inherit flags if isinstance(pattern, AnnotatedString): updated = AnnotatedString(updated) updated.flags = dict(pattern.flags) return updated def split_git_path(path): file_sub = re.sub(r"^git\+file:/+", "/", path) (file_path, version) = file_sub.split("@") file_path = os.path.realpath(file_path) root_path = get_git_root(file_path) if file_path.startswith(root_path): file_path = file_path[len(root_path) :].lstrip("/") return (root_path, file_path, version) def get_git_root(path): """ Args: path: (str) Path a to a directory/file that is located inside the repo Returns: path to the root folder for git repo """ import git try: git_repo = git.Repo(path, search_parent_directories=True) return git_repo.git.rev_parse("--show-toplevel") except git.exc.NoSuchPathError: tail, head = os.path.split(path) return get_git_root_parent_directory(tail, path) def get_git_root_parent_directory(path, input_path): """ This function will recursively go through parent directories until a git repository is found or until no parent directories are left, in which case an error will be raised. This is needed when providing a path to a file/folder that is located on a branch/tag not currently checked out. Args: path: (str) Path a to a directory that is located inside the repo input_path: (str) origin path, used when raising WorkflowError Returns: path to the root folder for git repo """ import git try: git_repo = git.Repo(path, search_parent_directories=True) return git_repo.git.rev_parse("--show-toplevel") except git.exc.NoSuchPathError: tail, head = os.path.split(path) if tail is None: raise WorkflowError( f"Neither provided git path ({input_path}) " + "or parent directories contain a valid git repo." ) else: return get_git_root_parent_directory(tail, input_path) def git_content(git_file): """ This function will extract a file from a git repository, one located on the filesystem. The expected format is git+file:///path/to/your/repo/path_to_file@version Args: env_file (str): consist of path to repo, @, version, and file information Ex: git+file:///home/smeds/snakemake-wrappers/bio/fastqc/wrapper.py@0.19.3 Returns: file content or None if the expected format isn't meet """ import git if git_file.startswith("git+file:"): (root_path, file_path, version) = split_git_path(git_file) return git.Repo(root_path).git.show(f"{version}:{file_path}") else: raise WorkflowError( "Provided git path ({}) doesn't meet the " "expected format:".format(git_file) + ", expected format is " "git+file://PATH_TO_REPO/PATH_TO_FILE_INSIDE_REPO@VERSION" ) def strip_wildcard_constraints(pattern): """Return a string that does not contain any wildcard constraints.""" if is_callable(pattern): # do not apply on e.g. input functions return pattern def strip_constraint(match): return "{{{}}}".format(match.group("name")) return _wildcard_regex.sub(strip_constraint, pattern) class Namedlist(list): """ A list that additionally provides functions to name items. Further, it is hashable, however, the hash does not consider the item names. """ def __init__( self, toclone=None, fromdict=None, plainstr=False, strip_constraints=False, custom_map=None, ): """ Create the object. Arguments toclone -- another Namedlist that shall be cloned fromdict -- a dict that shall be converted to a Namedlist (keys become names) """ list.__init__(self) self._names = dict() # white-list of attribute names that can be overridden in _set_name # default to throwing exception if called to prevent use as functions self._allowed_overrides = ["index", "sort"] for name in self._allowed_overrides: setattr(self, name, functools.partial(self._used_attribute, _name=name)) if toclone is not None: if custom_map is not None: self.extend(map(custom_map, toclone)) elif plainstr: self.extend( x.remote_object.to_plainstr() if isinstance(x, _IOFile) and x.remote_object is not None else str(x) for x in toclone ) elif strip_constraints: self.extend(map(strip_wildcard_constraints, toclone)) else: self.extend(toclone) if isinstance(toclone, Namedlist): self._take_names(toclone._get_names()) if fromdict is not None: for key, item in fromdict.items(): self.append(item) self._add_name(key) @staticmethod def _used_attribute(*args, _name, **kwargs): """ Generic function that throws an `AttributeError`. Used as replacement for functions such as `index()` and `sort()`, which may be overridden by workflows, to signal to a user that these functions should not be used. """ raise AttributeError( "{_name}() cannot be used; attribute name reserved" " for use in some existing workflows".format(_name=_name) ) def _add_name(self, name): """ Add a name to the last item. Arguments name -- a name """ self._set_name(name, len(self) - 1) def _set_name(self, name, index, end=None): """ Set the name of an item. Arguments name -- a name index -- the item index """ if name not in self._allowed_overrides and hasattr(self.__class__, name): raise AttributeError( "invalid name for input, output, wildcard, " "params or log: {name} is reserved for internal use".format(name=name) ) self._names[name] = (index, end) if end is None: setattr(self, name, self[index]) else: setattr(self, name, Namedlist(toclone=self[index:end])) def _get_names(self): """ Get the defined names as (name, index) pairs. """ for name, index in self._names.items(): yield name, index def _take_names(self, names): """ Take over the given names. Arguments names -- the given names as (name, index) pairs """ for name, (i, j) in names: self._set_name(name, i, end=j) def items(self): for name in self._names: yield name, getattr(self, name) def _allitems(self): next = 0 for name, index in sorted( self._names.items(), key=lambda item: ( item[1][0], item[1][0] + 1 if item[1][1] is None else item[1][1], ), ): start, end = index if end is None: end = start + 1 if start > next: for item in self[next:start]: yield None, item yield name, getattr(self, name) next = end for item in self[next:]: yield None, item def _insert_items(self, index, items): self[index : index + 1] = items add = len(items) - 1 for name, (i, j) in self._names.items(): if i > index: self._names[name] = (i + add, None if j is None else j + add) elif i == index: self._set_name(name, i, end=i + len(items)) def keys(self): return self._names.keys() def _plainstrings(self): return self.__class__.__call__(toclone=self, plainstr=True) def _stripped_constraints(self): return self.__class__.__call__(toclone=self, strip_constraints=True) def _clone(self): return self.__class__.__call__(toclone=self) def get(self, key, default_value=None): return self.__dict__.get(key, default_value) def __getitem__(self, key): if isinstance(key, str): return getattr(self, key) else: return super().__getitem__(key) def __hash__(self): return hash(tuple(self)) def __str__(self): return " ".join(map(str, self)) class InputFiles(Namedlist): @property def size(self): return sum(f.size for f in self) @property def size_mb(self): return self.size / 1024 / 1024 class OutputFiles(Namedlist): pass class Wildcards(Namedlist): pass class Params(Namedlist): pass class Resources(Namedlist): pass class Log(Namedlist): pass def _load_configfile(configpath_or_obj, filetype="Config"): "Tries to load a configfile first as JSON, then as YAML, into a dict." import yaml if isinstance(configpath_or_obj, str) or isinstance(configpath_or_obj, Path): obj = open(configpath_or_obj, encoding="utf-8") else: obj = configpath_or_obj try: with obj as f: try: return json.load(f, object_pairs_hook=collections.OrderedDict) except ValueError: f.seek(0) # try again try: import yte return yte.process_yaml(f, require_use_yte=True) except yaml.YAMLError: raise WorkflowError( f"{filetype} file is not valid JSON or YAML. " "In case of YAML, make sure to not mix " "whitespace and tab indentation." ) except FileNotFoundError: raise WorkflowError(f"{filetype} file {configpath_or_obj} not found.") def load_configfile(configpath): "Loads a JSON or YAML configfile as a dict, then checks that it's a dict." config = _load_configfile(configpath) if not isinstance(config, dict): raise WorkflowError( "Config file must be given as JSON or YAML with keys at top level." ) return config ##### Wildcard pumping detection ##### class PeriodicityDetector: def __init__(self, min_repeat=20, max_repeat=100): """ Args: max_repeat (int): The maximum length of the periodic substring. min_repeat (int): The minimum length of the periodic substring. """ self.min_repeat = min_repeat self.regex = re.compile( "((?P.+)(?P=value){{{min_repeat},{max_repeat}}})$".format( min_repeat=min_repeat - 1, max_repeat=max_repeat - 1 ) ) def is_periodic(self, value): """Returns the periodic substring or None if not periodic.""" # short-circuit: need at least min_repeat characters if len(value) < self.min_repeat: return None # short-circuit: need at least min_repeat same characters last_letter = value[-1] counter = collections.Counter(value) if counter[last_letter] < self.min_repeat: return None # short-circuit: need at least min_repeat same characters pos = 2 while ( value[-pos] != last_letter ): # as long as last letter is not seen, repeat length is minimally pos if ( len(value) < (pos * self.min_repeat) or counter[value[-pos]] < self.min_repeat ): return None pos += 1 # now do the expensive regex m = self.regex.search(value) # search for a periodic suffix. if m is not None: return m.group("value")