import os
import re
import shutil
import threading
from os.path import join as opj
from scm.plams.core.basejob import MultiJob
from scm.plams.core.errors import FileError, PlamsError
from scm.plams.core.functions import config, log
__all__ = ["JobManager"]
[docs]class JobManager:
"""Class responsible for jobs and files management.
Every instance has the following attributes:
* ``foldername`` -- the working folder name.
* ``workdir`` -- the absolute path to the working folder.
* ``logfile`` -- the absolute path to the logfile.
* ``input`` -- the absolute path to the copy of the input file in the working folder.
* ``settings`` -- a |Settings| instance for this job manager (see below).
* ``jobs`` -- a list of all jobs managed with this instance (in order of |run| calls).
* ``names`` -- a dictionary with names of jobs. For each name an integer value is stored indicating how many jobs with that basename have already been run.
* ``hashes`` -- a dictionary working as a hash-table for jobs.
The *path* argument should be be a path to a directory inside which the main working folder will be created. If ``None``, the directory from where the whole script was executed is used.
The ``foldername`` attribute is initially set to the *folder* argument. If such a folder already exists (and ``use_existing_folder`` is False), the suffix ``.002`` is appended to *folder* and the number is increased (``.003``, ``.004``...) until a non-existsing name is found. If *folder* is ``None``, the name ``plams_workdir`` is used, followed by the same procedure to find a unique ``foldername``.
The ``settings`` attribute is directly set to the value of *settings* argument (unlike in other classes where they are copied) and it should be a |Settings| instance with the following keys:
* ``hashing`` -- chosen hashing method (see |RPM|).
* ``counter_len`` -- length of number appended to the job name in case of a name conflict.
* ``remove_empty_directories`` -- if ``True``, all empty subdirectories of the working folder are removed on |finish|.
"""
[docs] def __init__(self, settings, path=None, folder=None, use_existing_folder=False):
self.settings = settings
self.jobs = []
self.names = {}
self.hashes = {}
self._register_lock = threading.RLock()
if path is None:
ams_resultsdir = os.getenv("AMS_RESULTSDIR")
if not ams_resultsdir is None and os.path.isdir(ams_resultsdir):
self.path = ams_resultsdir
else:
self.path = os.getcwd()
elif os.path.isdir(path):
self.path = os.path.abspath(path)
else:
raise PlamsError("Invalid path: {}".format(path))
basename = os.path.normpath(folder) if folder else "plams_workdir"
self.foldername = basename
if not use_existing_folder:
n = 2
while os.path.exists(opj(self.path, self.foldername)):
self.foldername = basename + "." + str(n).zfill(3)
n += 1
self.workdir = opj(self.path, self.foldername)
self.logfile = os.environ["SCM_LOGFILE"] if ("SCM_LOGFILE" in os.environ) else opj(self.workdir, "logfile")
self.input = opj(self.workdir, "input")
if not (use_existing_folder and os.path.exists(self.workdir)):
os.mkdir(self.workdir)
[docs] def load_job(self, filename):
"""Load previously saved job from *filename*.
*Filename* should be a path to a ``.dill`` file in some job folder. A |Job| instance stored there is loaded and returned. All attributes of this instance removed before pickling are restored. That includes ``jobmanager``, ``path`` (the absolute path to the folder containing *filename* is used) and ``default_settings`` (a list containing only ``config.job``).
See |pickling| for details.
"""
try:
import dill as pickle
except ImportError:
import pickle
def setstate(job, path, parent=None):
job.parent = parent
job.jobmanager = self
job.default_settings = [config.job]
job.path = path
if isinstance(job, MultiJob):
job._lock = threading.Lock()
for child in job:
setstate(child, opj(path, child.name), job)
for otherjob in job.other_jobs():
setstate(otherjob, opj(path, otherjob.name), job)
job.results.refresh()
h = job.hash()
if h is not None:
self.hashes[h] = job
for key in job._dont_pickle:
job.__dict__[key] = None
if os.path.isfile(filename):
filename = os.path.abspath(filename)
else:
raise FileError("File {} not present".format(filename))
path = os.path.dirname(filename)
with open(filename, "rb") as f:
try:
job = pickle.load(f)
except Exception as e:
log("Unpickling of {} failed. Caught the following Exception:\n{}".format(filename, e), 1)
return None
setstate(job, path)
return job
[docs] def remove_job(self, job):
"""Remove *job* from the job manager. Forget its hash."""
with self._register_lock:
if job in self.jobs:
self.jobs.remove(job)
job.jobmanager = None
h = job.hash()
if h in self.hashes and self.hashes[h] == job:
del self.hashes[h]
if isinstance(job, MultiJob):
for child in job:
self.remove_job(child)
for otherjob in job.other_jobs():
self.remove_job(otherjob)
shutil.rmtree(job.path)
[docs] def _register(self, job):
"""Register the *job*. Register job's name (rename if needed) and create the job folder.
If a job with the same name was already registered, *job* is renamed by appending consecutive integers. The number of digits in the appended number is defined by the ``counter_len`` value in ``settings``.
Note that jobs whose name already contains a counting suffix, e.g. ``myjob.002`` will have the suffix stripped as the very first step.
"""
with self._register_lock:
log("Registering job {}".format(job.name), 7)
job.jobmanager = self
# If the name ends with the counting suffix, e.g. ".002", remove it.
# The suffix is just not part of a legitimate job name and users will have to live with it potentially changing.
orgfname = job._full_name()
job.name = re.sub(r"(\.\d{%i})+$" % (self.settings.counter_len), "", job.name)
fname = job._full_name()
if fname in self.names:
self.names[fname] += 1
job.name += "." + str(self.names[fname]).zfill(self.settings.counter_len)
fname = job._full_name()
else:
self.names[fname] = 1
if fname != orgfname:
log("Renaming job {} to {}".format(orgfname, fname), 3)
if job.path is None:
if job.parent:
job.path = opj(job.parent.path, job.name)
else:
job.path = opj(self.workdir, job.name)
os.mkdir(job.path)
self.jobs.append(job)
job.status = "registered"
log("Job {} registered".format(job.name), 7)
[docs] def _check_hash(self, job):
"""Calculate the hash of *job* and, if it is not ``None``, search previously run jobs for the same hash. If such a job is found, return it. Otherwise, return ``None``"""
h = job.hash()
if h is not None:
with self._register_lock:
if h in self.hashes:
prev = self.hashes[h]
log("Job {} previously run as {}, using old results".format(job.name, prev.name), 1)
return prev
else:
self.hashes[h] = job
return None
[docs] def _clean(self):
"""Clean all registered jobs according to the ``save`` parameter in their ``settings``. If ``remove_empty_directories`` is ``True``, traverse the working directory and delete all empty subdirectories."""
log("Cleaning job manager", 7)
for job in self.jobs:
job.results._clean(job.settings.save)
if self.settings.remove_empty_directories:
for root, dirs, files in os.walk(self.workdir, topdown=False):
for dirname in dirs:
fullname = opj(root, dirname)
if not os.listdir(fullname):
os.rmdir(fullname)
log("Job manager cleaned", 7)
