diff --git a/README.md b/README.md
index 46611e343a26e390b5a326e0ee4da278f576d10d..673561792174a2706db4daf7cf41eb27371d3bf0 100644
--- a/README.md
+++ b/README.md
@@ -55,6 +55,13 @@ your browser.
## Change log
+### v0.4.3
+- more flexible celery routing
+- config via nomad.yml
+- repo_db can be disabled
+- publishing of calculations with failed processing
+- cli for managing running processing tasks
+
### v0.4.2
- bugfixes regarding the migration
- better migration configurability and reproducibility
diff --git a/nomad/coe_repo/upload.py b/nomad/coe_repo/upload.py
index 54b69292ecc372af4409e7637a4d3990ad8e8ab8..13dd0de49b9ec62a5672d9d1d4b3452e55a27469 100644
--- a/nomad/coe_repo/upload.py
+++ b/nomad/coe_repo/upload.py
@@ -155,16 +155,17 @@ class Upload(Base): # type: ignore
retries = 0
while True:
- publish_filelock = filelock.FileLock(
- os.path.join(config.fs.tmp, 'publish.lock'))
- logger.info('waiting for filelock')
- while True:
- try:
- publish_filelock.acquire(timeout=15 * 60, poll_intervall=1)
- logger.info('acquired filelock')
- break
- except filelock.Timeout:
- logger.warning('could not acquire publish lock after generous timeout')
+ if config.repository_db.sequential_publish:
+ publish_filelock = filelock.FileLock(
+ os.path.join(config.fs.tmp, 'publish.lock'))
+ logger.info('waiting for filelock')
+ while True:
+ try:
+ publish_filelock.acquire(timeout=15 * 60, poll_intervall=1)
+ logger.info('acquired filelock')
+ break
+ except filelock.Timeout:
+ logger.warning('could not acquire publish lock after generous timeout')
repo_db = infrastructure.repository_db
repo_db.expunge_all()
@@ -223,5 +224,6 @@ class Upload(Base): # type: ignore
logger.error('Unexpected exception.', exc_info=e)
raise e
finally:
- publish_filelock.release()
- logger.info('released filelock')
+ if config.repository_db.sequential_publish:
+ publish_filelock.release()
+ logger.info('released filelock')
diff --git a/nomad/config.py b/nomad/config.py
index 336830b472bbe84ca3cc4304ffe13a8f582fd590..d302819e208cca2663419db89961f127e03367f5 100644
--- a/nomad/config.py
+++ b/nomad/config.py
@@ -17,6 +17,7 @@ import os
import os.path
import yaml
import warnings
+from kombu import Queue
from nomad import utils
@@ -55,7 +56,11 @@ celery = NomadConfig(
max_memory=64e6, # 64 GB
timeout=1800, # 1/2 h
acks_late=True,
- routing=CELERY_QUEUE_ROUTING
+ routing=CELERY_QUEUE_ROUTING,
+ task_queues=[
+ Queue('calcs', routing_key='calcs', queue_arguments={'x-max-priority': 10}),
+ Queue('uploads', routing_key='uploads', queue_arguments={'x-max-priority': 100})
+ ]
)
fs = NomadConfig(
@@ -72,6 +77,8 @@ elastic = NomadConfig(
)
repository_db = NomadConfig(
+ sequential_publish=False,
+ publish_enabled=True,
host='localhost',
port=5432,
dbname='nomad_fairdi_repo_db',
diff --git a/nomad/processing/base.py b/nomad/processing/base.py
index bf7aa238a75c1e61a38cb9688353b5706a3eb66b..a94f50f659ff332cc5fe0323a4fae1ac2f5c299a 100644
--- a/nomad/processing/base.py
+++ b/nomad/processing/base.py
@@ -54,6 +54,8 @@ app.conf.update(worker_max_memory_per_child=config.celery.max_memory)
if config.celery.routing == config.CELERY_WORKER_ROUTING:
app.conf.update(worker_direct=True)
+app.conf.task_queues = config.celery.task_queues
+
CREATED = 'CREATED'
PENDING = 'PENDING'
RUNNING = 'RUNNING'
diff --git a/nomad/processing/data.py b/nomad/processing/data.py
index 7f626bff744d48332e5ece3be4bb0dc9ef1e90e2..66c86a38aefb0a5309d6ce07b18d803a38bcfcf7 100644
--- a/nomad/processing/data.py
+++ b/nomad/processing/data.py
@@ -412,37 +412,43 @@ class Upload(Proc):
processing state db.
"""
logger = self.get_logger()
- logger.info('started to publish', step='publish')
+ logger.info('started to publish')
with utils.lnr(logger, 'publish failed'):
upload_with_metadata = self.to_upload_with_metadata()
+ if config.repository_db.publish_enabled:
+ with utils.timer(
+ logger, 'upload added to repository', step='repo',
+ upload_size=self.upload_files.size):
+ coe_repo.Upload.publish(upload_with_metadata)
+
+ if config.repository_db.publish_enabled:
+ coe_upload = coe_repo.Upload.from_upload_id(upload_with_metadata.upload_id)
+ if coe_upload is not None:
+ calcs = [coe_calc.to_calc_with_metadata() for coe_calc in coe_upload.calcs]
+ else:
+ calcs = []
+ else:
+ calcs = upload_with_metadata.calcs
+
with utils.timer(
- logger, 'upload added to repository', step='repo',
+ logger, 'upload metadata updated', step='metadata',
upload_size=self.upload_files.size):
- coe_repo.Upload.publish(upload_with_metadata)
+ for calc in calcs:
+ calc.published = True
+ self.upload_files.metadata.update(
+ calc_id=calc.calc_id, updates=calc.to_dict())
with utils.timer(
logger, 'staged upload files packed', step='pack',
upload_size=self.upload_files.size):
- coe_upload = coe_repo.Upload.from_upload_id(upload_with_metadata.upload_id)
- if coe_upload is not None:
- for coe_calc in coe_upload.calcs:
- calc_metadata = coe_calc.to_calc_with_metadata()
- calc_metadata.published = True
- self.upload_files.metadata.update(
- calc_id=calc_metadata.calc_id, updates=calc_metadata.to_dict())
- logger.info('metadata updated after publish to coe repo', step='publish')
-
self.upload_files.pack()
with utils.timer(
logger, 'index updated', step='index',
upload_size=self.upload_files.size):
- coe_upload = coe_repo.Upload.from_upload_id(upload_with_metadata.upload_id)
- if coe_upload is not None:
- search.publish(
- [coe_calc.to_calc_with_metadata() for coe_calc in coe_upload.calcs])
+ search.publish(calcs)
with utils.timer(
logger, 'staged upload deleted', step='delete staged',
@@ -572,7 +578,7 @@ class Upload(Proc):
'',
'your data %suploaded %s has completed processing.' % (
self.name if self.name else '', self.upload_time.isoformat()),
- 'You can review your data on your upload page: %s' % config.services.upload_url
+ 'You can review your data on your upload page: %s' % config.upload_url()
])
try:
infrastructure.send_mail(
diff --git a/nomad/search.py b/nomad/search.py
index ff13d4fca4878d75de8b76ae86b5679316bad998..f96ced395ac5e6e640bb822d4aa6794f69c49d95 100644
--- a/nomad/search.py
+++ b/nomad/search.py
@@ -123,7 +123,7 @@ class Entry(Document):
self.upload_time = source.upload_time
self.calc_id = source.calc_id
self.calc_hash = source.calc_hash
- self.pid = str(source.pid)
+ self.pid = None if source.pid is None else str(source.pid)
self.mainfile = source.mainfile
if source.files is None:
diff --git a/ops/helm/nomad/templates/nomad-configmap.yml b/ops/helm/nomad/templates/nomad-configmap.yml
index afb07e1da34df2d0f1b463e44b3b42ddd78be9c9..6786107e00332a02199e1556d0fc71d3ca358a14 100644
--- a/ops/helm/nomad/templates/nomad-configmap.yml
+++ b/ops/helm/nomad/templates/nomad-configmap.yml
@@ -42,6 +42,8 @@ data:
host: "{{ .Values.postgres.host }}"
port: {{ .Values.postgres.port }}
dbname: "{{ .Values.dbname }}"
+ sequential_public: {{ .Values.postgres.sequential_publish }}
+ publish_enabled: {{ .Values.postgres.publish_enabled }}
mail:
host: "{{ .Values.mail.host }}"
port: {{ .Values.mail.port }}
diff --git a/ops/helm/nomad/templates/worker-deployment.yaml b/ops/helm/nomad/templates/worker-deployment.yaml
index 1c47b9733db16cc9e89d8e58765ab687f3ae2a1d..bba64aae9a909200a0d68f03b1d1ee051bae718d 100644
--- a/ops/helm/nomad/templates/worker-deployment.yaml
+++ b/ops/helm/nomad/templates/worker-deployment.yaml
@@ -43,7 +43,7 @@ spec:
value: "{{ .Values.worker.console_loglevel }}"
- name: NOMAD_LOGSTASH_LEVEL
value: "{{ .Values.worker.logstash_loglevel }}"
- command: ["python", "-m", "celery", "worker", "-A", "nomad.processing", "-Q", "celery,calcs,uploads"]
+ command: ["python", "-m", "celery", "worker", "-A", "nomad.processing", "-Q", "calcs,uploads"]
livenessProbe:
exec:
command:
diff --git a/ops/helm/nomad/values.yaml b/ops/helm/nomad/values.yaml
index 668d919da9068ffe126caee766e8e9ae383f8a80..dd33a9962fe2ecf0ea4a6b1ddde0034234688e0a 100644
--- a/ops/helm/nomad/values.yaml
+++ b/ops/helm/nomad/values.yaml
@@ -96,6 +96,8 @@ elastic:
port: 19200
postgres:
+ sequential_publish: false
+ publish_enabled: true
host: enc-preprocessing-nomad.esc
port: 5432
diff --git a/requirements.txt b/requirements.txt
index b7c9bbb92d4fd3058118543e33b5a27c1e575e43..0e0d841388c7a4faf3a5cb28083978d4ac1efb50 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -43,6 +43,7 @@ PyJWT
jsonschema[format]
python-magic
runstats
+pyyml
# dev/ops related
setuptools
diff --git a/tests/conftest.py b/tests/conftest.py
index b0667d4d0ad8705574460cb34587d96d7b64c843..498ff2c987b98abbe9b17946a9d8dfdc58a66d59 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -96,7 +96,8 @@ def celery_includes():
@pytest.fixture(scope='session')
def celery_config():
return {
- 'broker_url': config.rabbitmq_url()
+ 'broker_url': config.rabbitmq_url(),
+ 'task_queues': config.celery.task_queues
}
@@ -517,3 +518,9 @@ def processed(uploaded: Tuple[str, str], test_user: coe_repo.User, proc_infra) -
Provides a processed upload. Upload was uploaded with test_user.
"""
return test_processing.run_processing(uploaded, test_user)
+
+
+@pytest.fixture(scope='function', params=[False, True])
+def with_publish_to_coe_repo(monkeypatch, request):
+ monkeypatch.setattr('nomad.config.repository_db.publish_enabled', request.param)
+ return request.param
diff --git a/tests/processing/test_data.py b/tests/processing/test_data.py
index 6341b1cc1606aab1797fd130cc1c12d244b5518d..040baf3f989ae9f2f48c9a1ec7ca384a89c3060c 100644
--- a/tests/processing/test_data.py
+++ b/tests/processing/test_data.py
@@ -20,10 +20,14 @@ import json
import re
from nomad import utils, infrastructure
-from nomad.files import UploadFiles, StagingUploadFiles
+from nomad.files import UploadFiles, StagingUploadFiles, PublicUploadFiles
from nomad.processing import Upload, Calc
from nomad.processing.base import task as task_decorator, FAILURE, SUCCESS
+from tests.test_search import assert_search_upload
+from tests.test_files import assert_upload_files
+from tests.test_coe_repo import assert_coe_upload
+
def test_send_mail(mails, monkeypatch):
monkeypatch.setattr('nomad.config.mail.enabled', True)
@@ -98,6 +102,28 @@ def test_processing(processed, no_warn, mails, monkeypatch):
assert re.search(r'Processing completed', mails.messages[0].data.decode('utf-8')) is not None
+def test_publish(processed: Upload, no_warn, example_user_metadata, monkeypatch, with_publish_to_coe_repo):
+ processed.metadata = example_user_metadata
+
+ n_calcs = processed.total_calcs
+ additional_keys = ['with_embargo']
+ if with_publish_to_coe_repo:
+ additional_keys.append('pid')
+
+ processed.publish_upload()
+ try:
+ processed.block_until_complete(interval=.01)
+ except Exception:
+ pass
+
+ assert_coe_upload(processed.upload_id, user_metadata=example_user_metadata)
+
+ assert_upload_files(
+ processed.upload_id, PublicUploadFiles, n_calcs, additional_keys, published=True)
+
+ assert_search_upload(processed.upload_id, n_calcs, additional_keys, published=True)
+
+
@pytest.mark.timeout(10)
def test_processing_with_warning(proc_infra, test_user, with_warn):
example_file = 'tests/data/proc/examples_with_warning_template.zip'
diff --git a/tests/test_api.py b/tests/test_api.py
index 2191667ccc407251f5d340ec6f456c809b22cc2c..cf85b84860e1af5d998e9b20825025104ab80312 100644
--- a/tests/test_api.py
+++ b/tests/test_api.py
@@ -225,7 +225,7 @@ class TestUploads:
assert_upload_files(upload_id, files.StagingUploadFiles, n_calcs)
assert_search_upload(upload_id, n_calcs)
- def assert_unstage(self, client, test_user_auth, upload_id, proc_infra, metadata={}):
+ def assert_published(self, client, test_user_auth, upload_id, proc_infra, with_pid=True, metadata={}):
rv = client.get('/uploads/%s' % upload_id, headers=test_user_auth)
upload = self.assert_upload(rv.data)
n_calcs = upload['calcs']['pagination']['total']
@@ -240,10 +240,13 @@ class TestUploads:
assert upload['current_process'] == 'publish_upload'
assert upload['process_running']
+ additional_keys = ['with_embargo']
+ if with_pid:
+ additional_keys.append('pid')
self.assert_upload_does_not_exist(client, upload_id, test_user_auth)
assert_coe_upload(upload_id, user_metadata=metadata)
- assert_upload_files(upload_id, files.PublicUploadFiles, n_calcs, additional_keys=['with_embargo', 'pid'], published=True)
- assert_search_upload(upload_id, n_calcs, additional_keys=['with_embargo', 'pid'], published=True)
+ assert_upload_files(upload_id, files.PublicUploadFiles, n_calcs, additional_keys=additional_keys, published=True)
+ assert_search_upload(upload_id, n_calcs, additional_keys=additional_keys, published=True)
def assert_upload_does_not_exist(self, client, upload_id: str, test_user_auth):
# poll until publish/delete completed
@@ -329,11 +332,11 @@ class TestUploads:
yield True
monkeypatch.setattr('nomad.processing.data.Upload.cleanup', old_cleanup)
- def test_delete_unstaged(self, client, test_user_auth, proc_infra, no_warn):
+ def test_delete_published(self, client, test_user_auth, proc_infra, no_warn, with_publish_to_coe_repo):
rv = client.put('/uploads/?local_path=%s' % example_file, headers=test_user_auth)
upload = self.assert_upload(rv.data)
self.assert_processing(client, test_user_auth, upload['upload_id'])
- self.assert_unstage(client, test_user_auth, upload['upload_id'], proc_infra)
+ self.assert_published(client, test_user_auth, upload['upload_id'], proc_infra, with_pid=with_publish_to_coe_repo)
rv = client.delete('/uploads/%s' % upload['upload_id'], headers=test_user_auth)
assert rv.status_code == 404
@@ -345,11 +348,11 @@ class TestUploads:
assert rv.status_code == 200
self.assert_upload_does_not_exist(client, upload['upload_id'], test_user_auth)
- def test_post(self, client, test_user_auth, example_upload, proc_infra, no_warn):
+ def test_post(self, client, test_user_auth, example_upload, proc_infra, no_warn, with_publish_to_coe_repo):
rv = client.put('/uploads/?local_path=%s' % example_upload, headers=test_user_auth)
upload = self.assert_upload(rv.data)
self.assert_processing(client, test_user_auth, upload['upload_id'])
- self.assert_unstage(client, test_user_auth, upload['upload_id'], proc_infra)
+ self.assert_published(client, test_user_auth, upload['upload_id'], proc_infra, with_pid=with_publish_to_coe_repo)
def test_post_metadata(
self, client, proc_infra, admin_user_auth, test_user_auth, test_user,
@@ -359,7 +362,7 @@ class TestUploads:
self.assert_processing(client, test_user_auth, upload['upload_id'])
metadata = dict(**example_user_metadata)
metadata['_upload_time'] = datetime.now().isoformat()
- self.assert_unstage(client, admin_user_auth, upload['upload_id'], proc_infra, metadata)
+ self.assert_published(client, admin_user_auth, upload['upload_id'], proc_infra, metadata)
def test_post_metadata_forbidden(self, client, proc_infra, test_user_auth, no_warn):
rv = client.put('/uploads/?local_path=%s' % example_file, headers=test_user_auth)
diff --git a/tests/test_search.py b/tests/test_search.py
index 4a754331b0c08180f4da90aa3dfc361386761ec8..6e017b76f458f7e27768393607c66f6dc8828daa 100644
--- a/tests/test_search.py
+++ b/tests/test_search.py
@@ -132,10 +132,11 @@ def assert_search_upload(upload_id, n_calcs: int, additional_keys: List[str] = [
for hit in search:
hit = hit.to_dict()
for key, value in kwargs.items():
- if key == 'published':
- assert int(hit.get('pid')) > 0
assert hit.get(key, None) == value
+ if 'pid' in hit:
+ assert int(hit.get('pid')) > 0
+
for key in keys:
assert key in hit