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Fix Dataset.to_file HDF5 functionality #715

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Fix Dataset.to_file HDF5 functionality #715

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7 changes: 4 additions & 3 deletions qcfractal/interface/collections/dataset_view.py
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
import abc
import distutils
import hashlib
import packaging
import pathlib
import shutil
import tarfile
Expand Down Expand Up @@ -252,12 +252,13 @@ def get_entries(self, subset: Optional[List[str]] = None) -> pd.DataFrame:

def write(self, ds: Dataset):
# For data checksums
dataset_kwargs = {"chunks": True, "fletcher32": True}
dataset_kwargs = {"chunks": True, "fletcher32": False}
ds.get_entries(force=True)
n_records = len(ds.data.records)
default_shape = (n_records,)

if h5py.__version__ >= distutils.version.StrictVersion("2.10.0"):
if (packaging.version.parse(h5py.__version__) >=
packaging.version.parse("2.10.0")):
vlen_double_t = h5py.vlen_dtype(np.dtype("float64"))
utf8_t = h5py.string_dtype(encoding="utf-8")
bytes_t = h5py.vlen_dtype(np.dtype("uint8"))
Expand Down