Commit 536a3254 authored by mlocatelli's avatar mlocatelli

Adding CC DB creation step to the update pipeline

parent d7f06c7c
Pipeline #2511 passed with stages
in 11 minutes and 53 seconds
......@@ -45,6 +45,7 @@ from chemicalchecker.database import Dataset, Datasource
from chemicalchecker.database import Molrepo, Calcdata
from chemicalchecker.util.pipeline import Pipeline, PythonCallable
from chemicalchecker.util.pipeline import CCFit, CCPredict
from chemicalchecker.pipeline.update_resources.create_database import create_db_dataset
# this is needed to export signaturizers at the end
sys.path.insert(0, '/aloy/home/mbertoni/code/signaturizer')
......@@ -228,6 +229,15 @@ def main(args):
'cpu': hpc_kwargs['proj2']['cpu']
}
# TASK: Create new CC DB
def create_db():
# Create a new database for the current CC update
create_db_dataset()
creating_db_task = PythonCallable(name="creating_db",
python_callable=create_db)
pp.add_task(creating_db_task)
#############################################
# TASK: Download all datasources
def download_fn(tmpdir):
......
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