From 4be66cc788efac6d2736f5f1e1397e90e57e6e3d Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Thu, 16 Apr 2026 13:52:30 -0700 Subject: [PATCH 1/2] actually remove matminer from mp-api deps --- pyproject.toml | 1 - tests/client/materials/test_similarity.py | 31 ++++++++--------------- 2 files changed, 11 insertions(+), 21 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 31ca59d1..4541d657 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -40,7 +40,6 @@ all = [ "emmet-core[all]>=0.86.4rc1,<0.86.5", "fastmcp", "flask", - "matminer>=0.10.0", "mpcontribs-client>=5.10", ] test = [ diff --git a/tests/client/materials/test_similarity.py b/tests/client/materials/test_similarity.py index 072f3076..9d836dd8 100644 --- a/tests/client/materials/test_similarity.py +++ b/tests/client/materials/test_similarity.py @@ -12,12 +12,6 @@ from mp_api.client.routes.materials.similarity import SimilarityRester -try: - import matminer -except ImportError: - matminer = None - - @pytest.fixture(scope="module") def test_struct(): poscar = """Al2 @@ -59,21 +53,18 @@ def test_similarity_search(): def test_similarity_vector_search(test_struct): rester = SimilarityRester() - # skip these tests if `matminer` is not installed - if matminer is not None: - fv = rester.fingerprint_structure(test_struct) - assert isinstance(fv, np.ndarray) - assert len(fv) == 122 - assert isinstance(rester._fingerprinter, SimilarityScorer) - - assert all( - isinstance(entry, SimilarityEntry) - and isinstance(entry.dissimilarity, float) - for entry in rester.find_similar( - test_struct, - top=2, - ) + fv = rester.fingerprint_structure(test_struct) + assert isinstance(fv, np.ndarray) + assert len(fv) == 122 + assert isinstance(rester._fingerprinter, SimilarityScorer) + + assert all( + isinstance(entry, SimilarityEntry) and isinstance(entry.dissimilarity, float) + for entry in rester.find_similar( + test_struct, + top=2, ) + ) get_top = 5 sim_entries = rester.find_similar("mp-149", top=get_top) From 2dda691b574aa6d01a468c5b8ccc5cfce1e10882 Mon Sep 17 00:00:00 2001 From: github-actions Date: Thu, 16 Apr 2026 20:55:49 +0000 Subject: [PATCH 2/2] auto dependency upgrades --- .../requirements-ubuntu-latest_py3.11.txt | 4 +-- ...quirements-ubuntu-latest_py3.11_extras.txt | 35 ++++--------------- .../requirements-ubuntu-latest_py3.12.txt | 4 +-- ...quirements-ubuntu-latest_py3.12_extras.txt | 35 ++++--------------- 4 files changed, 16 insertions(+), 62 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index e299db90..deebbe6b 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -12,9 +12,9 @@ bibtexparser==1.4.4 # via pymatgen-core blake3==1.0.8 # via emmet-core -boto3==1.42.89 +boto3==1.42.90 # via mp-api (pyproject.toml) -botocore==1.42.89 +botocore==1.42.90 # via # boto3 # s3transfer diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index c066fd8f..2b42c376 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.11_extras.txt @@ -47,9 +47,9 @@ blinker==1.9.0 # via flask boltons==25.0.0 # via mpcontribs-client -boto3==1.42.89 +boto3==1.42.90 # via mp-api (pyproject.toml) -botocore==1.42.89 +botocore==1.42.90 # via # boto3 # s3transfer @@ -213,7 +213,6 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core - # scikit-learn json2html==1.3.0 # via mpcontribs-client jsonpointer==3.1.1 @@ -252,8 +251,6 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matminer==0.10.1 - # via mp-api (pyproject.toml) matplotlib==3.10.8 # via # ase @@ -273,7 +270,6 @@ monty==2026.2.18 # via # custodian # emmet-core - # matminer # mp-api (pyproject.toml) # pymatgen-core more-itertools==11.0.2 @@ -310,7 +306,6 @@ numpy==2.4.4 # ase # contourpy # imageio - # matminer # matplotlib # monty # mpcontribs-client @@ -320,7 +315,6 @@ numpy==2.4.4 # pymatgen-core # pymatgen-io-validation # scikit-image - # scikit-learn # scipy # seaborn # seekpath @@ -346,9 +340,8 @@ packaging==26.1 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==2.3.3 +pandas==3.0.2 # via - # matminer # mpcontribs-client # pymatgen-core # seaborn @@ -438,7 +431,6 @@ pyjwt[crypto]==2.12.1 pymatgen==2026.3.23 # via # emmet-core - # matminer # mp-api (pyproject.toml) # mp-pyrho # mpcontribs-client @@ -459,7 +451,6 @@ pymatgen-io-validation==0.1.2 pymongo==4.16.0 # via # emmet-core - # matminer # mpcontribs-client pyparsing==3.3.2 # via @@ -499,9 +490,7 @@ python-dotenv==1.2.2 python-multipart==0.0.26 # via mcp pytz==2026.1.post1 - # via - # bravado-core - # pandas + # via bravado-core pyyaml==6.0.3 # via # bravado @@ -520,7 +509,6 @@ requests==2.33.1 # via # bravado # bravado-core - # matminer # mp-api (pyproject.toml) # pymatgen-core # pymatgen-io-validation @@ -555,15 +543,11 @@ s3transfer==0.16.0 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scikit-learn==1.8.0 - # via matminer scipy==1.17.1 # via # ase - # matminer # pymatgen-core # scikit-image - # scikit-learn seaborn==0.13.2 # via pymatgen-analysis-diffusion secretstorage==3.5.0 @@ -616,18 +600,13 @@ swagger-spec-validator==3.0.4 # bravado-core # mpcontribs-client sympy==1.14.0 - # via - # matminer - # pymatgen-core + # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -threadpoolctl==3.6.0 - # via scikit-learn tifffile==2026.3.3 # via scikit-image tqdm==4.67.3 # via - # matminer # mpcontribs-client # pymatgen-core traitlets==5.14.3 @@ -672,9 +651,7 @@ typing-inspection==0.4.2 # pydantic # pydantic-settings tzdata==2026.1 - # via - # arrow - # pandas + # via arrow ujson==5.12.0 # via mpcontribs-client uncalled-for==0.3.1 diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index 9b155dcc..7f00d6af 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -12,9 +12,9 @@ bibtexparser==1.4.4 # via pymatgen-core blake3==1.0.8 # via emmet-core -boto3==1.42.89 +boto3==1.42.90 # via mp-api (pyproject.toml) -botocore==1.42.89 +botocore==1.42.90 # via # boto3 # s3transfer diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index 5d3c69bc..f67ea252 100644 --- a/requirements/requirements-ubuntu-latest_py3.12_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.12_extras.txt @@ -45,9 +45,9 @@ blinker==1.9.0 # via flask boltons==25.0.0 # via mpcontribs-client -boto3==1.42.89 +boto3==1.42.90 # via mp-api (pyproject.toml) -botocore==1.42.89 +botocore==1.42.90 # via # boto3 # s3transfer @@ -209,7 +209,6 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core - # scikit-learn json2html==1.3.0 # via mpcontribs-client jsonpointer==3.1.1 @@ -248,8 +247,6 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matminer==0.10.1 - # via mp-api (pyproject.toml) matplotlib==3.10.8 # via # ase @@ -269,7 +266,6 @@ monty==2026.2.18 # via # custodian # emmet-core - # matminer # mp-api (pyproject.toml) # pymatgen-core more-itertools==11.0.2 @@ -306,7 +302,6 @@ numpy==2.4.4 # ase # contourpy # imageio - # matminer # matplotlib # monty # mpcontribs-client @@ -316,7 +311,6 @@ numpy==2.4.4 # pymatgen-core # pymatgen-io-validation # scikit-image - # scikit-learn # scipy # seaborn # seekpath @@ -342,9 +336,8 @@ packaging==26.1 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==2.3.3 +pandas==3.0.2 # via - # matminer # mpcontribs-client # pymatgen-core # seaborn @@ -434,7 +427,6 @@ pyjwt[crypto]==2.12.1 pymatgen==2026.3.23 # via # emmet-core - # matminer # mp-api (pyproject.toml) # mp-pyrho # mpcontribs-client @@ -455,7 +447,6 @@ pymatgen-io-validation==0.1.2 pymongo==4.16.0 # via # emmet-core - # matminer # mpcontribs-client pyparsing==3.3.2 # via @@ -495,9 +486,7 @@ python-dotenv==1.2.2 python-multipart==0.0.26 # via mcp pytz==2026.1.post1 - # via - # bravado-core - # pandas + # via bravado-core pyyaml==6.0.3 # via # bravado @@ -516,7 +505,6 @@ requests==2.33.1 # via # bravado # bravado-core - # matminer # mp-api (pyproject.toml) # pymatgen-core # pymatgen-io-validation @@ -551,15 +539,11 @@ s3transfer==0.16.0 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scikit-learn==1.8.0 - # via matminer scipy==1.17.1 # via # ase - # matminer # pymatgen-core # scikit-image - # scikit-learn seaborn==0.13.2 # via pymatgen-analysis-diffusion secretstorage==3.5.0 @@ -612,18 +596,13 @@ swagger-spec-validator==3.0.4 # bravado-core # mpcontribs-client sympy==1.14.0 - # via - # matminer - # pymatgen-core + # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -threadpoolctl==3.6.0 - # via scikit-learn tifffile==2026.4.11 # via scikit-image tqdm==4.67.3 # via - # matminer # mpcontribs-client # pymatgen-core traitlets==5.14.3 @@ -665,9 +644,7 @@ typing-inspection==0.4.2 # pydantic # pydantic-settings tzdata==2026.1 - # via - # arrow - # pandas + # via arrow ujson==5.12.0 # via mpcontribs-client uncalled-for==0.3.1