Skip to content

Commit 7da6984

Browse files
tschaumetschaume
authored
Merge branch 'main' into deltalake
2 parents b498a76 + 5027d21 commit 7da6984

File tree

8 files changed

+41
-38
lines changed

8 files changed

+41
-38
lines changed

‎.github/workflows/testing.yml‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -32,7 +32,7 @@ jobs:
3232

3333
- name: Install Python dependencies
3434
run: |
35-
python -m pip install --upgrade pip
35+
python -m pip install --upgrade "pip<25.3"
3636
pip install -r requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}.txt
3737
pip install -r requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt
3838

‎.github/workflows/upgrade_dependencies.yml‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -23,9 +23,9 @@ jobs:
2323
- name: Upgrade Python dependencies
2424
shell: bash
2525
run: |
26-
python -m pip install --upgrade pip pip-tools
27-
python -m piptools compile -q --upgrade --resolver=backtracking -o requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}.txt pyproject.toml
28-
python -m piptools compile -q --upgrade --resolver=backtracking --all-extras -o requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt pyproject.toml
26+
python -m pip install --upgrade "pip<25.3" pip-tools
27+
python -m piptools compile -q --upgrade -o requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}.txt pyproject.toml
28+
python -m piptools compile -q --upgrade --all-extras -o requirements/requirements-${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt pyproject.toml
2929
- name: Detect changes
3030
id: changes
3131
shell: bash

‎mp_api/client/routes/materials/materials.py‎

Lines changed: 8 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -304,12 +304,17 @@ def find_structure(
304304
use_document_model=False,
305305
).get("data")
306306

307-
if len(results) > 1: # type: ignore
307+
if not results:
308+
return []
309+
310+
material_ids = validate_ids([doc["material_id"] for doc in results])
311+
312+
if len(material_ids) > 1: # type: ignore
308313
if not allow_multiple_results:
309314
raise ValueError(
310315
"Multiple matches found for this combination of tolerances, but "
311316
"`allow_multiple_results` set to False."
312317
)
313-
return results # type: ignore
318+
return material_ids # type: ignore
314319

315-
return results[0]["material_id"] if (results and results[0]) else []
320+
return material_ids[0]

‎requirements/requirements-ubuntu-latest_py3.11.txt‎

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -10,9 +10,9 @@ bibtexparser==1.4.3
1010
# via pymatgen
1111
blake3==1.0.8
1212
# via emmet-core
13-
boto3==1.40.59
13+
boto3==1.40.61
1414
# via mp-api (pyproject.toml)
15-
botocore==1.40.59
15+
botocore==1.40.61
1616
# via
1717
# boto3
1818
# s3transfer
@@ -51,7 +51,7 @@ mpmath==1.3.0
5151
# via sympy
5252
msgpack==1.1.2
5353
# via mp-api (pyproject.toml)
54-
narwhals==2.9.0
54+
narwhals==2.10.0
5555
# via plotly
5656
networkx==3.5
5757
# via pymatgen
@@ -110,7 +110,7 @@ python-dateutil==2.9.0.post0
110110
# botocore
111111
# matplotlib
112112
# pandas
113-
python-dotenv==1.1.1
113+
python-dotenv==1.2.1
114114
# via pydantic-settings
115115
pytz==2025.2
116116
# via pandas
@@ -129,7 +129,7 @@ ruamel-yaml-clib==0.2.14
129129
# via ruamel-yaml
130130
s3transfer==0.14.0
131131
# via boto3
132-
scipy==1.16.2
132+
scipy==1.16.3
133133
# via pymatgen
134134
six==1.17.0
135135
# via python-dateutil

‎requirements/requirements-ubuntu-latest_py3.11_extras.txt‎

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -26,9 +26,9 @@ blake3==1.0.8
2626
# via emmet-core
2727
boltons==25.0.0
2828
# via mpcontribs-client
29-
boto3==1.40.59
29+
boto3==1.40.61
3030
# via mp-api (pyproject.toml)
31-
botocore==1.40.59
31+
botocore==1.40.61
3232
# via
3333
# boto3
3434
# s3transfer
@@ -133,7 +133,7 @@ jsonschema-specifications==2025.9.1
133133
# via jsonschema
134134
kiwisolver==1.4.9
135135
# via matplotlib
136-
lark==1.3.0
136+
lark==1.3.1
137137
# via rfc3987-syntax
138138
latexcodec==3.0.1
139139
# via pybtex
@@ -181,7 +181,7 @@ mypy-extensions==1.1.0
181181
# via
182182
# mp-api (pyproject.toml)
183183
# mypy
184-
narwhals==2.9.0
184+
narwhals==2.10.0
185185
# via plotly
186186
networkx==3.5
187187
# via
@@ -262,7 +262,7 @@ pre-commit==4.3.0
262262
# via mp-api (pyproject.toml)
263263
prompt-toolkit==3.0.52
264264
# via ipython
265-
psutil==7.1.1
265+
psutil==7.1.2
266266
# via custodian
267267
ptyprocess==0.7.0
268268
# via pexpect
@@ -352,7 +352,7 @@ python-dateutil==2.9.0.post0
352352
# bravado-core
353353
# matplotlib
354354
# pandas
355-
python-dotenv==1.1.1
355+
python-dotenv==1.2.1
356356
# via pydantic-settings
357357
pytz==2025.2
358358
# via
@@ -409,7 +409,7 @@ scikit-image==0.25.2
409409
# via pymatgen-analysis-defects
410410
scikit-learn==1.7.2
411411
# via matminer
412-
scipy==1.16.2
412+
scipy==1.16.3
413413
# via
414414
# ase
415415
# pymatgen

‎requirements/requirements-ubuntu-latest_py3.12.txt‎

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -10,9 +10,9 @@ bibtexparser==1.4.3
1010
# via pymatgen
1111
blake3==1.0.8
1212
# via emmet-core
13-
boto3==1.40.59
13+
boto3==1.40.61
1414
# via mp-api (pyproject.toml)
15-
botocore==1.40.59
15+
botocore==1.40.61
1616
# via
1717
# boto3
1818
# s3transfer
@@ -51,7 +51,7 @@ mpmath==1.3.0
5151
# via sympy
5252
msgpack==1.1.2
5353
# via mp-api (pyproject.toml)
54-
narwhals==2.9.0
54+
narwhals==2.10.0
5555
# via plotly
5656
networkx==3.5
5757
# via pymatgen
@@ -110,7 +110,7 @@ python-dateutil==2.9.0.post0
110110
# botocore
111111
# matplotlib
112112
# pandas
113-
python-dotenv==1.1.1
113+
python-dotenv==1.2.1
114114
# via pydantic-settings
115115
pytz==2025.2
116116
# via pandas
@@ -129,7 +129,7 @@ ruamel-yaml-clib==0.2.14
129129
# via ruamel-yaml
130130
s3transfer==0.14.0
131131
# via boto3
132-
scipy==1.16.2
132+
scipy==1.16.3
133133
# via pymatgen
134134
six==1.17.0
135135
# via python-dateutil

‎requirements/requirements-ubuntu-latest_py3.12_extras.txt‎

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -26,9 +26,9 @@ blake3==1.0.8
2626
# via emmet-core
2727
boltons==25.0.0
2828
# via mpcontribs-client
29-
boto3==1.40.59
29+
boto3==1.40.61
3030
# via mp-api (pyproject.toml)
31-
botocore==1.40.59
31+
botocore==1.40.61
3232
# via
3333
# boto3
3434
# s3transfer
@@ -133,7 +133,7 @@ jsonschema-specifications==2025.9.1
133133
# via jsonschema
134134
kiwisolver==1.4.9
135135
# via matplotlib
136-
lark==1.3.0
136+
lark==1.3.1
137137
# via rfc3987-syntax
138138
latexcodec==3.0.1
139139
# via pybtex
@@ -181,7 +181,7 @@ mypy-extensions==1.1.0
181181
# via
182182
# mp-api (pyproject.toml)
183183
# mypy
184-
narwhals==2.9.0
184+
narwhals==2.10.0
185185
# via plotly
186186
networkx==3.5
187187
# via
@@ -262,7 +262,7 @@ pre-commit==4.3.0
262262
# via mp-api (pyproject.toml)
263263
prompt-toolkit==3.0.52
264264
# via ipython
265-
psutil==7.1.1
265+
psutil==7.1.2
266266
# via custodian
267267
ptyprocess==0.7.0
268268
# via pexpect
@@ -352,7 +352,7 @@ python-dateutil==2.9.0.post0
352352
# bravado-core
353353
# matplotlib
354354
# pandas
355-
python-dotenv==1.1.1
355+
python-dotenv==1.2.1
356356
# via pydantic-settings
357357
pytz==2025.2
358358
# via
@@ -409,7 +409,7 @@ scikit-image==0.25.2
409409
# via pymatgen-analysis-defects
410410
scikit-learn==1.7.2
411411
# via matminer
412-
scipy==1.16.2
412+
scipy==1.16.3
413413
# via
414414
# ase
415415
# pymatgen

‎tests/test_mprester.py‎

Lines changed: 5 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -96,16 +96,14 @@ def test_get_structures(self, mpr):
9696
structs = mpr.get_structures("Mn-O", final=False)
9797
assert len(structs) > 0
9898

99-
@pytest.mark.skip(reason="Endpoint issues")
10099
def test_find_structure(self, mpr):
101100
path = os.path.join(MAPIClientSettings().TEST_FILES, "Si_mp_149.cif")
102-
with open(path) as file:
103-
data = mpr.find_structure(path)
104-
assert len(data) > 0
101+
data = mpr.find_structure(path)
102+
assert isinstance(data, str) and data == "mp-149"
105103

106-
s = CifParser(file).get_structures()[0]
107-
data = mpr.find_structure(s)
108-
assert len(data) > 0
104+
s = CifParser(path).get_structures()[0]
105+
data = mpr.find_structure(s)
106+
assert isinstance(data, str) and data == "mp-149"
109107

110108
def test_get_bandstructure_by_material_id(self, mpr):
111109
bs = mpr.get_bandstructure_by_material_id("mp-149")

0 commit comments

Comments
 (0)