v0.4.3: The Dask release
[0.4.3]
Added
- Added preliminary support for the
Dask
workflow engine via Dask Delayed and Dask Distributed.
Changed
- Renamed
CREATE_UNIQUE_WORKDIR
toCREATE_UNIQUE_DIR
to better reflect its utility. - The default for the
SCRATCH_DIR
setting is nowNone
instead of~/.quacc_scratch
. In other words, the default is to not use a scratch directory. This should help with onboarding, and the ability to set it asNone
may be broadly of interest. Setting theSCRATCH_DIR
to a givenPath
will still work as expected. - Files are no longer recursively copied from
SCRATCH_DIR
toRESULTS_DIR
. Instead, they are recursively moved. This should speed up I/O operations.
Fixed
- Fixed a missing
phonopy_kwargs
keyword argument inquacc.recipes.common.phonons
What's Changed
- Bump prefect from 2.14.6 to 2.14.9 by @dependabot in #1302
- Bump emmet-core from 0.74.3 to 0.74.5 by @dependabot in #1300
- Bump phonopy from 2.20.0 to 2.21.0 by @dependabot in #1301
- Bump parsl[monitoring] from 2023.11.20 to 2023.11.27 by @dependabot in #1304
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1314
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1316
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1315
mv *
files fromSCRATCH_DIR
toRESULTS_DIR
instead ofcp -r
, and makeSCRATCH_DIR
optional by @Andrew-S-Rosen in #1313- refactor: remove unnecessary f-string by @deepsource-autofix in #1318
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1317
- Clearer description of path handling by @Andrew-S-Rosen in #1319
- Add support for the Dask workflow engine by @Andrew-S-Rosen in #1323
- Simplify Dask tutorial by @Andrew-S-Rosen in #1325
- Update CHANGELOG.md by @Andrew-S-Rosen in #1329
- Fix sporadic codecov upload issues by @Andrew-S-Rosen in #1328
Full Changelog: 0.4.2...v0.4.3