Automated dependency upgrades (#1029)

* update dependencies for emmet-api (ubuntu-latest/py3.10) * update dependencies for emmet-api (ubuntu-latest/py3.11) * update dependencies for emmet-api (ubuntu-latest/py3.9) * update dependencies for emmet-builders (ubuntu-latest/py3.10) * update dependencies for emmet-builders (ubuntu-latest/py3.11) * update dependencies for emmet-builders (ubuntu-latest/py3.9) * update dependencies for emmet-core (ubuntu-latest/py3.10) * update dependencies for emmet-core (ubuntu-latest/py3.11) * update dependencies for emmet-core (ubuntu-latest/py3.9) --------- Co-authored-by: github-actions <[email protected]>
materialsproject · Jun 7, 2024 · 5144d73 · 5144d73
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commit 5144d73
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diff --git a/emmet-api/requirements/ubuntu-latest_py3.10.txt b/emmet-api/requirements/ubuntu-latest_py3.10.txt
@@ -314,7 +314,7 @@ tqdm==4.66.4
     #   pymatgen
 typer==0.12.3
     # via fastapi-cli
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   anyio
     #   asgiref

diff --git a/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt
@@ -464,7 +464,7 @@ types-requests==2.32.0.20240602
     # via emmet-api (setup.py)
 types-setuptools==70.0.0.20240524
     # via emmet-api (setup.py)
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   anyio
     #   asgiref

diff --git a/emmet-api/requirements/ubuntu-latest_py3.11.txt b/emmet-api/requirements/ubuntu-latest_py3.11.txt
@@ -310,7 +310,7 @@ tqdm==4.66.4
     #   pymatgen
 typer==0.12.3
     # via fastapi-cli
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   ddtrace
     #   emmet-core

diff --git a/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt
@@ -454,7 +454,7 @@ types-requests==2.32.0.20240602
     # via emmet-api (setup.py)
 types-setuptools==70.0.0.20240524
     # via emmet-api (setup.py)
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   ddtrace
     #   emmet-core

diff --git a/emmet-api/requirements/ubuntu-latest_py3.9.txt b/emmet-api/requirements/ubuntu-latest_py3.9.txt
@@ -320,7 +320,7 @@ tqdm==4.66.4
     #   pymatgen
 typer==0.12.3
     # via fastapi-cli
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   aioitertools
     #   anyio

diff --git a/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt
@@ -476,7 +476,7 @@ types-setuptools==70.0.0.20240524
     # via emmet-api (setup.py)
 types-urllib3==1.26.25.14
     # via types-requests
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   aioitertools
     #   anyio

diff --git a/emmet-builders/requirements/ubuntu-latest_py3.10.txt b/emmet-builders/requirements/ubuntu-latest_py3.10.txt
@@ -64,15 +64,21 @@ emmet-core[all]==0.83.8
     #   emmet-builders (setup.py)
     #   mp-api
 exceptiongroup==1.2.1
-    # via anyio
+    # via
+    #   anyio
+    #   pytest
 fastapi==0.111.0
     # via maggma
 fastapi-cli==0.0.4
     # via fastapi
+fasteners==0.19
+    # via mdanalysis
 flask==3.0.3
     # via mongogrant
 fonttools==4.53.0
     # via matplotlib
+griddataformats==1.0.2
+    # via mdanalysis
 h11==0.14.0
     # via
     #   httpcore
@@ -93,6 +99,8 @@ idna==3.7
     #   requests
 inflect==7.2.1
     # via robocrys
+iniconfig==2.0.0
+    # via pytest
 itsdangerous==2.2.0
     # via flask
 jinja2==3.1.4
@@ -106,6 +114,7 @@ jmespath==1.0.1
 joblib==1.4.2
     # via
     #   matcalc
+    #   mdanalysis
     #   pymatgen
     #   pymatgen-analysis-diffusion
     #   scikit-learn
@@ -136,10 +145,20 @@ matminer==0.9.2
 matplotlib==3.9.0
     # via
     #   ase
+    #   mdanalysis
     #   phonopy
     #   pymatgen
+    #   solvation-analysis
+mda-xdrlib==0.2.0
+    # via mdanalysis
+mdanalysis==2.7.0
+    # via
+    #   emmet-builders (setup.py)
+    #   solvation-analysis
 mdurl==0.1.2
     # via markdown-it-py
+mmtf-python==1.1.3
+    # via mdanalysis
 mongogrant==0.3.3
     # via maggma
 mongomock==4.1.2
@@ -158,9 +177,12 @@ mp-api==0.41.2
     # via robocrys
 mpmath==1.3.0
     # via sympy
+mrcfile==1.5.0
+    # via griddataformats
 msgpack==1.0.8
     # via
     #   maggma
+    #   mmtf-python
     #   mp-api
 networkx==3.3
     # via
@@ -170,42 +192,62 @@ numpy==1.26.4
     # via
     #   ase
     #   contourpy
+    #   griddataformats
     #   h5py
     #   maggma
     #   matminer
     #   matplotlib
+    #   mdanalysis
+    #   mrcfile
     #   pandas
+    #   patsy
     #   phonopy
     #   pymatgen
+    #   rdkit
     #   robocrys
     #   scikit-learn
     #   scipy
     #   seekpath
     #   shapely
+    #   solvation-analysis
     #   spglib
+    #   statsmodels
 orjson==3.10.3
     # via
     #   fastapi
     #   maggma
 packaging==24.0
     # via
     #   matplotlib
+    #   mdanalysis
     #   mongomock
     #   plotly
+    #   pytest
+    #   statsmodels
 palettable==3.3.3
     # via pymatgen
 pandas==2.2.2
     # via
     #   matminer
     #   pymatgen
+    #   solvation-analysis
+    #   statsmodels
 paramiko==3.4.0
     # via sshtunnel
-phonopy==2.23.1
+patsy==0.5.6
+    # via statsmodels
+phonopy==2.24.1
     # via matcalc
 pillow==10.3.0
-    # via matplotlib
+    # via
+    #   matplotlib
+    #   rdkit
 plotly==5.22.0
-    # via pymatgen
+    # via
+    #   pymatgen
+    #   solvation-analysis
+pluggy==1.5.0
+    # via pytest
 pubchempy==1.0.4
     # via robocrys
 pybtex==0.24.0
@@ -253,6 +295,8 @@ pynacl==1.5.0
     # via paramiko
 pyparsing==3.1.2
     # via matplotlib
+pytest==8.2.2
+    # via solvation-analysis
 python-dateutil==2.9.0.post0
     # via
     #   botocore
@@ -274,6 +318,8 @@ pyyaml==6.0.1
     #   uvicorn
 pyzmq==26.0.3
     # via maggma
+rdkit==2023.9.6
+    # via solvation-analysis
 referencing==0.35.1
     # via
     #   jsonschema
@@ -303,12 +349,16 @@ s3transfer==0.10.1
     # via boto3
 scikit-learn==1.5.0
     # via matminer
-scipy==1.13.1
+scipy==1.12.0
     # via
     #   ase
+    #   griddataformats
+    #   mdanalysis
     #   pymatgen
     #   robocrys
     #   scikit-learn
+    #   solvation-analysis
+    #   statsmodels
 seekpath==2.1.0
     # via emmet-core
 sentinels==1.0.0
@@ -319,6 +369,7 @@ shellingham==1.5.4
     # via typer
 six==1.16.0
     # via
+    #   patsy
     #   pybtex
     #   python-dateutil
 smart-open==7.0.4
@@ -327,6 +378,8 @@ sniffio==1.3.1
     # via
     #   anyio
     #   httpx
+solvation-analysis==0.4.0
+    # via emmet-builders (setup.py)
 spglib==2.4.0
     # via
     #   phonopy
@@ -337,6 +390,8 @@ sshtunnel==0.4.0
     # via maggma
 starlette==0.37.2
     # via fastapi
+statsmodels==0.14.2
+    # via solvation-analysis
 sympy==1.12.1
     # via
     #   matminer
@@ -346,17 +401,22 @@ tabulate==0.9.0
 tenacity==8.3.0
     # via plotly
 threadpoolctl==3.5.0
-    # via scikit-learn
+    # via
+    #   mdanalysis
+    #   scikit-learn
+tomli==2.0.1
+    # via pytest
 tqdm==4.66.4
     # via
     #   maggma
     #   matminer
+    #   mdanalysis
     #   pymatgen
 typeguard==4.3.0
     # via inflect
 typer==0.12.3
     # via fastapi-cli
-typing-extensions==4.12.1
+typing-extensions==4.12.2
     # via
     #   anyio
     #   emmet-core