Install & Compatibility
Where this runs
No compatibility data collected yet for this library.
Code
Verified usage
Verified import paths — ran on the pinned version, not inferred.
Flow
✓ from quacc import Flow
✗ from quacc.flow import Flow
Flow is re-exported from the top-level package since v1.0
get
✓ from quacc import get
✗ from quacc.database import get
get is available at top level to simplify usage
quacc
✓ import quacc
✗ import quacc as qc
Common but not necessary; top-level API is designed to be small
Basic usage: define a recipe and run it in a Flow.
import os
os.environ['QUACC_DB_FILE'] = os.environ.get('QUACC_DB_FILE', 'quacc.db')
from quacc import Flow, get, recipe
# Define a simple relaxation workflow
@recipe
def relax(atoms, calculator):
atoms.calc = calculator
atoms.get_potential_energy()
return atoms
# Run the flow
flow = Flow()
flow.add(relax, atoms=...)
flow.run()
Errors
Common errors & fixes
ModuleNotFoundError: No module named 'quacc'
quacc requires Python >=3.11
fixUpgrade Python to 3.11 or higher, then pip install quacc
AttributeError: module 'quacc' has no attribute 'Flow'
Importing from the wrong location or using an older version
fixUse `from quacc import Flow` (not `from quacc.flow import Flow`). Upgrade to >=1.0.
ValueError: Unknown recipe decorator
The @recipe decorator was introduced in v1.2.0
fixUpgrade quacc to >=1.2.0: pip install --upgrade quacc
Upgrade
Version history
1.2.6latest on PyPI · released Apr 24, 2026
Audit
Dependencies
aserequiredRequired for Atoms objects and calculators
pymatgenrequiredRequired for structure manipulation and file parsing
networkxrequiredRequired for graph-based workflows