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5c341b5
yank deprecated builders
tsmathis Dec 4, 2025
c6221dd
new vasp builders
tsmathis Dec 4, 2025
891ad74
simple map builders
tsmathis Dec 4, 2025
9f284dc
corrected entries builder
tsmathis Dec 4, 2025
70667d6
draft similarity builder
esoteric-ephemera Dec 11, 2025
b02e527
add snl schema for experimental databases
esoteric-ephemera Dec 12, 2025
a5bfcca
precommit / typos galore
esoteric-ephemera Dec 12, 2025
d3dfd18
add extra fields to DB SNLs to accommodate user / mp-complete
esoteric-ephemera Dec 23, 2025
510041c
draft provenance builder
esoteric-ephemera Dec 23, 2025
bbb55fc
rework m3gnet featurization to be pickleable
Jan 2, 2026
638188e
Create `emmet.core.connectors` for external DBs, migrate builders to …
esoteric-ephemera Jan 9, 2026
833ab10
precommit + syntax corrections
esoteric-ephemera Jan 9, 2026
5970e69
yank deprecated builders
tsmathis Dec 4, 2025
94ba595
simple map builders
tsmathis Dec 4, 2025
43a9cfd
thermo builder
tsmathis Dec 5, 2025
f9e11db
small updates to client syntax
esoteric-ephemera Jan 13, 2026
2fad68f
oxi states builder - cast species to str
tsmathis Jan 15, 2026
ee8cfcf
switch to custom structure type for base builder input model
tsmathis Jan 15, 2026
b09f112
remove influence from magnetic configuration on BVAnalyzer for oxi st…
tsmathis Jan 15, 2026
49c2552
phase diagram - cast list[ndarray] correctly for pyarrow during seria…
tsmathis Mar 2, 2026
e2d140f
doc str - rm this this
tsmathis Mar 3, 2026
9f092f0
default padlen for IdentifierType during (de)serialization
tsmathis Mar 3, 2026
df6fabe
IdentifierType builder
tsmathis Mar 3, 2026
86ede7f
no 'mp-' on task_id
tsmathis Mar 3, 2026
8ce16b9
id coercion for materialsdoc + entry types
tsmathis Mar 4, 2026
e764f87
extra id coercion for entries
tsmathis Mar 4, 2026
143909f
strip extraneous fields from legacy validation model
tsmathis Mar 4, 2026
5749d0f
safer func execution
tsmathis Mar 6, 2026
d167075
autofill builder_meta, don't inherit
tsmathis Mar 7, 2026
aeb5332
magnetism builder
tsmathis Mar 7, 2026
1d49f1d
safe call to get_conventional_structure -> propagate failure up safely
tsmathis Mar 7, 2026
5c6b30b
oxi-states, chemenv should inherit builder_meta
tsmathis Mar 7, 2026
55a0d35
magnetism origins should be list of origins
tsmathis Mar 9, 2026
19678e2
magnetism docstr
tsmathis Mar 12, 2026
d33fa61
cast tz to UTC for arrow schemas
tsmathis Mar 11, 2026
c756aad
electronic structure builder
tsmathis Mar 10, 2026
bf3d6ff
drop equivalent_labels from electronic structure data
tsmathis Mar 12, 2026
eb4a251
structure not needed for ranking bs or dos, minor refactors for origi…
tsmathis Mar 12, 2026
91d3569
add run_type to BandTheoryBase
tsmathis Mar 13, 2026
1ac1466
incorrect nesting on electronic structure shims
tsmathis Mar 17, 2026
172b665
refactor misc missing attrs & incorrect access patterns
tsmathis Mar 17, 2026
08e9a9c
make ranking calc struct fields optional
tsmathis Mar 17, 2026
3624b6b
bs sorting resilient to nulls
tsmathis Mar 17, 2026
dddbd7e
correct typing for DosShim identifier
tsmathis Mar 17, 2026
c0d39ce
add filter_map generic
tsmathis Mar 18, 2026
87666e4
absorption builder
tsmathis Mar 19, 2026
1b304fc
more sane type grouping for TypedBandDict
tsmathis Mar 19, 2026
b8396dc
better kwarg propagation for filter_map and electronic structure builder
tsmathis Mar 19, 2026
f9e0dfd
minor provenance updates
tsmathis Mar 19, 2026
46538fb
refactor SummaryDoc + summary builder
tsmathis Mar 19, 2026
38bdc9b
drop reimport of BSPathType
tsmathis Mar 23, 2026
9287609
reworked type annotations and serialization
tsmathis Mar 23, 2026
98fc88c
drop volumetric fields from phonon -> not stored in db
tsmathis Mar 26, 2026
453e596
make synth description fields optional
tsmathis Mar 30, 2026
5eadd37
set icsd snl remarks
tsmathis Mar 30, 2026
28eff03
piezo skellington
esoteric-ephemera Mar 13, 2026
72d80cf
refactor diel + piezo
esoteric-ephemera Mar 14, 2026
770f6a3
mv
tsmathis Mar 30, 2026
a169823
updates to linear response builders
tsmathis Mar 30, 2026
657897f
minor legacy cli mods
tsmathis Apr 2, 2026
a4ad524
linear response builder refactors
tsmathis Mar 31, 2026
1bf2750
minor icsd + prov changes
tsmathis Apr 1, 2026
da14d9b
add optional metadata kwargs for CoreTaskDoc init
tsmathis Apr 2, 2026
18a7ad9
incorrect kwarg propagation
tsmathis Apr 4, 2026
097e6c6
typo
tsmathis Apr 4, 2026
d7c6afd
add robocrys dep back to builders
tsmathis Apr 4, 2026
6d2abc4
null defaults for es builder inputs
tsmathis Apr 4, 2026
27320e6
nullable fields in es summary doc
tsmathis Apr 4, 2026
2090bd7
correction to origin of fields for dielectric builder
tsmathis Apr 6, 2026
ebdc62d
minor thermo doc refactors
tsmathis Apr 7, 2026
6537cb1
update pmg phase diagram serde to match updated as_dict in pmg
tsmathis Apr 7, 2026
b1d8f84
move parse kpts func to utils
tsmathis Apr 7, 2026
08802e5
validator for migrating legacy dielectric struct fields
tsmathis Apr 7, 2026
1831134
blessed task sort func for absorption builder
tsmathis Apr 7, 2026
60379b8
icsd typos
esoteric-ephemera Apr 9, 2026
8a7f7ec
refactor provenance builder
tsmathis Apr 9, 2026
9ff17b8
structure graph serialization fixup
tsmathis Apr 9, 2026
0298570
incorrect prop name for 'materials' in summary
tsmathis Apr 11, 2026
f73aa46
incorrect inheritance on GBSummary
tsmathis Apr 11, 2026
a5442e4
incorrect prop name for 'surface_properties' in summary
tsmathis Apr 11, 2026
3af1faf
summary builder - incorrect return type annotation
tsmathis Apr 11, 2026
c8e2e78
explicit prop name on MaterialsSummary
tsmathis Apr 14, 2026
51e4aa9
nullable warnings field for electrode base doc
tsmathis Apr 14, 2026
af3f241
missed passing deprecated through to prov doc constructor
tsmathis Apr 15, 2026
f06ae9d
fold property origins in summary builder + more correct has_props pro…
tsmathis Apr 15, 2026
f1c96bf
null comparison for AlphaID
tsmathis Apr 16, 2026
a3f7bc5
mistake in prop chain -_-
tsmathis Apr 16, 2026
f6c2c12
make builders lazier -> caller must materialize
tsmathis Apr 16, 2026
9dc25aa
mypy
tsmathis Apr 17, 2026
a31ae31
Merge branch 'develop' into new-builders
tsmathis Apr 17, 2026
8cd27f9
temp - trick setuptools-scm
tsmathis Apr 18, 2026
24f5352
pre-commit
tsmathis Apr 18, 2026
299a522
put builders utils test back
tsmathis Apr 18, 2026
93665a4
mypy
tsmathis Apr 18, 2026
8e85825
debug ci
tsmathis Apr 18, 2026
a4d29ce
mypy + rm ci debug step
tsmathis Apr 20, 2026
d3ab43b
Revert "drop volumetric fields from phonon -> not stored in db"
tsmathis Apr 21, 2026
e2ca0ce
update tests
tsmathis Apr 21, 2026
b729f49
linting
tsmathis Apr 21, 2026
2efb562
drop matminer and robocrys for internal implementations
tsmathis Apr 21, 2026
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15 changes: 14 additions & 1 deletion .github/workflows/testing.yml
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,9 @@ jobs:
python-version: "3.11"
cache: pip

- name: Get version from git
run: echo "SETUPTOOLS_SCM_PRETEND_VERSION=$(git describe --tags --abbrev=0 | sed 's/^v//')" >> $GITHUB_ENV

- name: Install dependencies
run: |
pip install --upgrade pip pip-tools black ruamel.yaml
Expand Down Expand Up @@ -58,7 +61,14 @@ jobs:
strategy:
matrix:
os: ["ubuntu-latest"]
package: ["emmet-core", "emmet-builders", "emmet-api", "emmet-archival", "emmet-cli"]
package:
[
"emmet-core",
"emmet-builders",
"emmet-api",
"emmet-archival",
"emmet-cli",
]
python-version: ["3.11", "3.12"]

name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }}
Expand All @@ -77,6 +87,9 @@ jobs:
python-version: ${{ matrix.python-version }}
channels: conda-forge

- name: Get version from git
run: echo "SETUPTOOLS_SCM_PRETEND_VERSION=$(git describe --tags --abbrev=0 | sed 's/^v//')" >> $GITHUB_ENV

- name: Install Python dependencies
shell: bash -l {0}
env:
Expand Down
2 changes: 2 additions & 0 deletions .mypy.ini
Original file line number Diff line number Diff line change
@@ -1,4 +1,6 @@
[mypy]
plugins = pydantic.mypy

explicit_package_bases = true
namespace_packages = true
ignore_missing_imports = true
Empty file.
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