emmet-builders 0.84.3rc4__tar.gz → 0.84.4__tar.gz

emmet_builders-0.84.4/PKG-INFO

@@ -0,0 +1,49 @@
+Metadata-Version: 2.1
+Name: emmet-builders
+Version: 0.84.4
+Summary: Builders for the Emmet Library
+Home-page: https://github.com/materialsproject/emmet
+Author: The Materials Project
+Author-email: feedback@materialsproject.org
+License: modified BSD
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+Requires-Dist: emmet-core[all]
+Requires-Dist: maggma>=0.57.6
+Requires-Dist: matminer>=0.9.1
+Requires-Dist: solvation-analysis>=0.4.0
+Requires-Dist: MDAnalysis>=2.7.0
+Provides-Extra: test
+Requires-Dist: pre-commit; extra == "test"
+Requires-Dist: pytest; extra == "test"
+Requires-Dist: pytest-cov; extra == "test"
+Requires-Dist: pycodestyle; extra == "test"
+Requires-Dist: pydocstyle; extra == "test"
+Requires-Dist: flake8; extra == "test"
+Requires-Dist: mypy; extra == "test"
+Requires-Dist: mypy-extensions; extra == "test"
+Requires-Dist: types-setuptools; extra == "test"
+Requires-Dist: types-requests; extra == "test"
+Requires-Dist: wincertstore; extra == "test"
+Provides-Extra: docs
+Requires-Dist: mkdocs; extra == "docs"
+Requires-Dist: mkdocs-material<8.3; extra == "docs"
+Requires-Dist: mkdocs-material-extensions; extra == "docs"
+Requires-Dist: mkdocs-minify-plugin; extra == "docs"
+Requires-Dist: mkdocstrings; extra == "docs"
+Requires-Dist: mkdocs-awesome-pages-plugin; extra == "docs"
+Requires-Dist: mkdocs-markdownextradata-plugin; extra == "docs"
+Requires-Dist: mkdocstrings[python]; extra == "docs"
+Requires-Dist: livereload; extra == "docs"
+Requires-Dist: jinja2; extra == "docs"
+Provides-Extra: ml
+Requires-Dist: emmet-core[ml]; extra == "ml"
+Provides-Extra: openmm
+Requires-Dist: transport-analysis>=0.1.0; extra == "openmm"
+
+# ![Emmet](docs/images/logo_w_text.svg)
+
+[![Pytest Status](https://github.com/materialsproject/emmet/workflows/testing/badge.svg)](https://github.com/materialsproject/emmet/actions?query=workflow%3Atesting)
+[![Code Coverage](https://codecov.io/gh/materialsproject/emmet/branch/main/graph/badge.svg)](https://codecov.io/gh/materialsproject/emmet)
+
+The Materials API Toolkit for the Materials Project. Emmet defines the core models, data pipelines, the API server, and the convenience CLI.

emmet_builders-0.84.4/emmet_builders.egg-info/PKG-INFO

@@ -0,0 +1,49 @@
+Metadata-Version: 2.1
+Name: emmet-builders
+Version: 0.84.4
+Summary: Builders for the Emmet Library
+Home-page: https://github.com/materialsproject/emmet
+Author: The Materials Project
+Author-email: feedback@materialsproject.org
+License: modified BSD
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+Requires-Dist: emmet-core[all]
+Requires-Dist: maggma>=0.57.6
+Requires-Dist: matminer>=0.9.1
+Requires-Dist: solvation-analysis>=0.4.0
+Requires-Dist: MDAnalysis>=2.7.0
+Provides-Extra: test
+Requires-Dist: pre-commit; extra == "test"
+Requires-Dist: pytest; extra == "test"
+Requires-Dist: pytest-cov; extra == "test"
+Requires-Dist: pycodestyle; extra == "test"
+Requires-Dist: pydocstyle; extra == "test"
+Requires-Dist: flake8; extra == "test"
+Requires-Dist: mypy; extra == "test"
+Requires-Dist: mypy-extensions; extra == "test"
+Requires-Dist: types-setuptools; extra == "test"
+Requires-Dist: types-requests; extra == "test"
+Requires-Dist: wincertstore; extra == "test"
+Provides-Extra: docs
+Requires-Dist: mkdocs; extra == "docs"
+Requires-Dist: mkdocs-material<8.3; extra == "docs"
+Requires-Dist: mkdocs-material-extensions; extra == "docs"
+Requires-Dist: mkdocs-minify-plugin; extra == "docs"
+Requires-Dist: mkdocstrings; extra == "docs"
+Requires-Dist: mkdocs-awesome-pages-plugin; extra == "docs"
+Requires-Dist: mkdocs-markdownextradata-plugin; extra == "docs"
+Requires-Dist: mkdocstrings[python]; extra == "docs"
+Requires-Dist: livereload; extra == "docs"
+Requires-Dist: jinja2; extra == "docs"
+Provides-Extra: ml
+Requires-Dist: emmet-core[ml]; extra == "ml"
+Provides-Extra: openmm
+Requires-Dist: transport-analysis>=0.1.0; extra == "openmm"
+
+# ![Emmet](docs/images/logo_w_text.svg)
+
+[![Pytest Status](https://github.com/materialsproject/emmet/workflows/testing/badge.svg)](https://github.com/materialsproject/emmet/actions?query=workflow%3Atesting)
+[![Code Coverage](https://codecov.io/gh/materialsproject/emmet/branch/main/graph/badge.svg)](https://codecov.io/gh/materialsproject/emmet)
+
+The Materials API Toolkit for the Materials Project. Emmet defines the core models, data pipelines, the API server, and the convenience CLI.

{emmet-builders-0.84.3rc4 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10.txt

@@ -17,11 +17,11 @@ attrs==24.2.0
     #   jsonlines
     #   jsonschema
     #   referencing
-bcrypt==4.2.0
+bcrypt==4.2.1
     # via paramiko
-boto3==1.35.57
+boto3==1.35.78
     # via maggma
-botocore==1.35.57
+botocore==1.35.78
     # via
     #   boto3
     #   s3transfer
@@ -33,9 +33,9 @@ cffi==1.17.1
     #   pynacl
 charset-normalizer==3.4.0
     # via requests
-contourpy==1.3.0
+contourpy==1.3.1
     # via matplotlib
-cryptography==43.0.3
+cryptography==44.0.0
     # via paramiko
 cycler==0.12.1
     # via matplotlib
@@ -51,7 +51,7 @@ exceptiongroup==1.2.2
     # via pytest
 fasteners==0.19
     # via mdanalysis
-fonttools==4.54.1
+fonttools==4.55.3
     # via matplotlib
 griddataformats==1.0.2
     # via mdanalysis
@@ -59,7 +59,7 @@ h5py==3.12.1
     # via phonopy
 idna==3.10
     # via requests
-imageio==2.36.0
+imageio==2.36.1
     # via scikit-image
 inflect==7.4.0
     # via robocrys
@@ -98,26 +98,32 @@ matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
-matplotlib==3.9.2
+matplotlib==3.9.3
     # via
     #   ase
     #   mdanalysis
+    #   pathsimanalysis
     #   phonopy
     #   pymatgen
     #   seaborn
     #   solvation-analysis
 mda-xdrlib==0.2.0
     # via mdanalysis
-mdanalysis==2.7.0
+mdahole2==0.5.0
+    # via mdanalysis
+mdanalysis==2.8.0
     # via
     #   emmet-builders (setup.py)
     #   emmet-core
+    #   mdahole2
+    #   pathsimanalysis
     #   solvation-analysis
+    #   waterdynamics
 mmtf-python==1.1.3
     # via mdanalysis
-mongomock==4.2.0.post1
+mongomock==4.3.0
     # via maggma
-monty==2024.10.21
+monty==2024.12.10
     # via
     #   emmet-core
     #   maggma
@@ -127,7 +133,7 @@ monty==2024.10.21
     #   robocrys
 more-itertools==10.5.0
     # via inflect
-mp-api==0.42.2
+mp-api==0.43.0
     # via robocrys
 mp-pyrho==0.4.5
     # via pymatgen-analysis-defects
@@ -160,6 +166,7 @@ numpy==1.26.4
     #   monty
     #   mrcfile
     #   pandas
+    #   pathsimanalysis
     #   patsy
     #   phonopy
     #   pymatgen
@@ -178,7 +185,8 @@ numpy==1.26.4
     #   statsmodels
     #   symfc
     #   tifffile
-orjson==3.10.11
+    #   waterdynamics
+orjson==3.10.12
     # via maggma
 packaging==24.2
     # via
@@ -202,9 +210,11 @@ pandas==2.2.3
     #   statsmodels
 paramiko==3.5.0
     # via sshtunnel
-patsy==0.5.6
+pathsimanalysis==1.2.0
+    # via mdanalysis
+patsy==1.0.1
     # via statsmodels
-phonopy==2.30.0
+phonopy==2.32.0
     # via matcalc
 pillow==11.0.0
     # via
@@ -227,12 +237,12 @@ pybtex==0.24.0
     #   robocrys
 pycparser==2.22
     # via cffi
-pydantic==2.9.2
+pydantic==2.10.3
     # via
     #   emmet-core
     #   maggma
     #   pydantic-settings
-pydantic-core==2.23.4
+pydantic-core==2.27.1
     # via pydantic
 pydantic-settings==2.6.1
     # via
@@ -240,7 +250,7 @@ pydantic-settings==2.6.1
     #   maggma
 pydash==8.0.4
     # via maggma
-pymatgen==2024.10.29
+pymatgen==2024.11.13
     # via
     #   emmet-core
     #   matcalc
@@ -265,7 +275,7 @@ pynacl==1.5.0
     # via paramiko
 pyparsing==3.2.0
     # via matplotlib
-pytest==8.3.3
+pytest==8.3.4
     # via solvation-analysis
 python-dateutil==2.9.0.post0
     # via
@@ -298,7 +308,7 @@ requests==2.32.3
     #   pymatgen
 robocrys==0.2.10
     # via emmet-core
-rpds-py==0.21.0
+rpds-py==0.22.3
     # via
     #   jsonschema
     #   referencing
@@ -310,18 +320,18 @@ ruamel-yaml==0.18.6
     #   robocrys
 ruamel-yaml-clib==0.2.12
     # via ruamel-yaml
-s3transfer==0.10.3
+s3transfer==0.10.4
     # via boto3
 scikit-image==0.24.0
     # via pymatgen-analysis-defects
-scikit-learn==1.5.2
+scikit-learn==1.6.0
     # via matminer
 scipy==1.14.1
     # via
     #   ase
     #   griddataformats
     #   mdanalysis
-    #   phonopy
+    #   pathsimanalysis
     #   pymatgen
     #   robocrys
     #   scikit-image
@@ -337,9 +347,8 @@ sentinels==1.0.0
     # via mongomock
 shapely==2.0.6
     # via pymatgen-analysis-alloys
-six==1.16.0
+six==1.17.0
     # via
-    #   patsy
     #   pybtex
     #   python-dateutil
 smart-open==7.0.5
@@ -359,7 +368,7 @@ sshtunnel==0.4.0
     # via maggma
 statsmodels==0.14.4
     # via solvation-analysis
-symfc==1.1.5
+symfc==1.1.6
     # via phonopy
 sympy==1.13.3
     # via
@@ -375,9 +384,9 @@ threadpoolctl==3.5.0
     #   scikit-learn
 tifffile==2024.9.20
     # via scikit-image
-tomli==2.0.2
+tomli==2.2.1
     # via pytest
-tqdm==4.67.0
+tqdm==4.67.1
     # via
     #   maggma
     #   matminer
@@ -401,7 +410,9 @@ urllib3==2.2.3
     # via
     #   botocore
     #   requests
-wrapt==1.16.0
+waterdynamics==1.2.0
+    # via mdanalysis
+wrapt==1.17.0
     # via smart-open
 
 # The following packages are considered to be unsafe in a requirements file:

{emmet-builders-0.84.3rc4 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10_extras.txt

@@ -4,9 +4,9 @@
 #
 #    pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt
 #
-aiohappyeyeballs==2.4.3
+aiohappyeyeballs==2.4.4
     # via aiohttp
-aiohttp==3.10.10
+aiohttp==3.11.10
     # via fsspec
 aioitertools==0.12.0
     # via maggma
@@ -20,7 +20,7 @@ ase==3.23.0
     #   matcalc
     #   matgl
     #   pymatgen-analysis-diffusion
-async-timeout==4.0.3
+async-timeout==5.0.1
     # via aiohttp
 attrs==24.2.0
     # via
@@ -28,11 +28,11 @@ attrs==24.2.0
     #   jsonlines
     #   jsonschema
     #   referencing
-bcrypt==4.2.0
+bcrypt==4.2.1
     # via paramiko
-boto3==1.35.57
+boto3==1.35.78
     # via maggma
-botocore==1.35.57
+botocore==1.35.78
     # via
     #   boto3
     #   s3transfer
@@ -56,11 +56,11 @@ click==8.1.7
     #   mkdocstrings
 colorama==0.4.6
     # via griffe
-contourpy==1.3.0
+contourpy==1.3.1
     # via matplotlib
-coverage[toml]==7.6.4
+coverage[toml]==7.6.9
     # via pytest-cov
-cryptography==43.0.3
+cryptography==44.0.0
     # via paramiko
 csscompressor==0.9.5
     # via mkdocs-minify-plugin
@@ -93,7 +93,7 @@ filelock==3.16.1
     #   virtualenv
 flake8==7.1.1
     # via emmet-builders (setup.py)
-fonttools==4.54.1
+fonttools==4.55.3
     # via matplotlib
 frozenlist==1.5.0
     # via
@@ -114,13 +114,13 @@ h5py==3.12.1
     # via phonopy
 htmlmin2==0.1.13
     # via mkdocs-minify-plugin
-identify==2.6.2
+identify==2.6.3
     # via pre-commit
 idna==3.10
     # via
     #   requests
     #   yarl
-imageio==2.36.0
+imageio==2.36.1
     # via scikit-image
 inflect==7.4.0
     # via robocrys
@@ -160,7 +160,7 @@ lazy-loader==0.4
     # via scikit-image
 lightning==2.4.0
     # via matgl
-lightning-utilities==0.11.8
+lightning-utilities==0.11.9
     # via
     #   lightning
     #   pytorch-lightning
@@ -192,10 +192,11 @@ matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
-matplotlib==3.9.2
+matplotlib==3.9.3
     # via
     #   ase
     #   mdanalysis
+    #   pathsimanalysis
     #   phonopy
     #   pymatgen
     #   seaborn
@@ -204,12 +205,17 @@ mccabe==0.7.0
     # via flake8
 mda-xdrlib==0.2.0
     # via mdanalysis
-mdanalysis==2.7.0
+mdahole2==0.5.0
+    # via mdanalysis
+mdanalysis==2.8.0
     # via
     #   emmet-builders (setup.py)
     #   emmet-core
+    #   mdahole2
+    #   pathsimanalysis
     #   solvation-analysis
     #   transport-analysis
+    #   waterdynamics
 mergedeep==1.3.4
     # via
     #   mkdocs
@@ -249,9 +255,9 @@ mkdocstrings-python==1.12.2
     # via mkdocstrings
 mmtf-python==1.1.3
     # via mdanalysis
-mongomock==4.2.0.post1
+mongomock==4.3.0
     # via maggma
-monty==2024.10.21
+monty==2024.12.10
     # via
     #   emmet-core
     #   maggma
@@ -261,7 +267,7 @@ monty==2024.10.21
     #   robocrys
 more-itertools==10.5.0
     # via inflect
-mp-api==0.42.2
+mp-api==0.43.0
     # via robocrys
 mp-pyrho==0.4.5
     # via pymatgen-analysis-defects
@@ -312,6 +318,7 @@ numpy==1.26.4
     #   monty
     #   mrcfile
     #   pandas
+    #   pathsimanalysis
     #   patsy
     #   phonopy
     #   pymatgen
@@ -332,6 +339,7 @@ numpy==1.26.4
     #   tidynamics
     #   tifffile
     #   torchmetrics
+    #   waterdynamics
 nvidia-cublas-cu12==12.4.5.8
     # via
     #   nvidia-cudnn-cu12
@@ -366,7 +374,7 @@ nvidia-nvjitlink-cu12==12.4.127
     #   torch
 nvidia-nvtx-cu12==12.4.127
     # via torch
-orjson==3.10.11
+orjson==3.10.12
     # via maggma
 packaging==24.2
     # via
@@ -395,11 +403,13 @@ pandas==2.2.3
     #   statsmodels
 paramiko==3.5.0
     # via sshtunnel
+pathsimanalysis==1.2.0
+    # via mdanalysis
 pathspec==0.12.1
     # via mkdocs
-patsy==0.5.6
+patsy==1.0.1
     # via statsmodels
-phonopy==2.30.0
+phonopy==2.32.0
     # via matcalc
 pillow==11.0.0
     # via
@@ -420,8 +430,10 @@ pluggy==1.5.0
     # via pytest
 pre-commit==4.0.1
     # via emmet-builders (setup.py)
-propcache==0.2.0
-    # via yarl
+propcache==0.2.1
+    # via
+    #   aiohttp
+    #   yarl
 psutil==6.1.0
     # via dgl
 pubchempy==1.0.4
@@ -437,13 +449,13 @@ pycodestyle==2.12.1
     #   flake8
 pycparser==2.22
     # via cffi
-pydantic==2.9.2
+pydantic==2.10.3
     # via
     #   emmet-core
     #   maggma
     #   matgl
     #   pydantic-settings
-pydantic-core==2.23.4
+pydantic-core==2.27.1
     # via pydantic
 pydantic-settings==2.6.1
     # via
@@ -457,7 +469,7 @@ pyflakes==3.2.0
     # via flake8
 pygments==2.18.0
     # via mkdocs-material
-pymatgen==2024.10.29
+pymatgen==2024.11.13
     # via
     #   chgnet
     #   emmet-core
@@ -488,7 +500,7 @@ pynacl==1.5.0
     # via paramiko
 pyparsing==3.2.0
     # via matplotlib
-pytest==8.3.3
+pytest==8.3.4
     # via
     #   emmet-builders (setup.py)
     #   pytest-cov
@@ -541,7 +553,7 @@ requests==2.32.3
     #   torchdata
 robocrys==0.2.10
     # via emmet-core
-rpds-py==0.21.0
+rpds-py==0.22.3
     # via
     #   jsonschema
     #   referencing
@@ -553,11 +565,11 @@ ruamel-yaml==0.18.6
     #   robocrys
 ruamel-yaml-clib==0.2.12
     # via ruamel-yaml
-s3transfer==0.10.3
+s3transfer==0.10.4
     # via boto3
 scikit-image==0.24.0
     # via pymatgen-analysis-defects
-scikit-learn==1.5.2
+scikit-learn==1.6.0
     # via matminer
 scipy==1.14.1
     # via
@@ -565,7 +577,7 @@ scipy==1.14.1
     #   dgl
     #   griddataformats
     #   mdanalysis
-    #   phonopy
+    #   pathsimanalysis
     #   pymatgen
     #   robocrys
     #   scikit-image
@@ -581,9 +593,8 @@ sentinels==1.0.0
     # via mongomock
 shapely==2.0.6
     # via pymatgen-analysis-alloys
-six==1.16.0
+six==1.17.0
     # via
-    #   patsy
     #   pybtex
     #   python-dateutil
 smart-open==7.0.5
@@ -605,7 +616,7 @@ sshtunnel==0.4.0
     # via maggma
 statsmodels==0.14.4
     # via solvation-analysis
-symfc==1.1.5
+symfc==1.1.6
     # via phonopy
 sympy==1.13.1
     # via
@@ -624,7 +635,7 @@ tidynamics==1.1.2
     # via transport-analysis
 tifffile==2024.9.20
     # via scikit-image
-tomli==2.0.2
+tomli==2.2.1
     # via
     #   coverage
     #   mypy
@@ -641,13 +652,13 @@ torchdata==0.7.1
     # via
     #   dgl
     #   matgl
-torchmetrics==1.5.2
+torchmetrics==1.6.0
     # via
     #   lightning
     #   pytorch-lightning
-tornado==6.4.1
+tornado==6.4.2
     # via livereload
-tqdm==4.67.0
+tqdm==4.67.1
     # via
     #   dgl
     #   lightning
@@ -664,7 +675,7 @@ typeguard==4.4.1
     # via inflect
 types-requests==2.32.0.20241016
     # via emmet-builders (setup.py)
-types-setuptools==75.3.0.20241107
+types-setuptools==75.6.0.20241126
     # via emmet-builders (setup.py)
 typing-extensions==4.12.2
     # via
@@ -691,17 +702,19 @@ urllib3==2.2.3
     #   requests
     #   torchdata
     #   types-requests
-virtualenv==20.27.1
+virtualenv==20.28.0
     # via pre-commit
 watchdog==6.0.0
     # via mkdocs
+waterdynamics==1.2.0
+    # via mdanalysis
 wcmatch==10.0
     # via mkdocs-awesome-pages-plugin
 wincertstore==0.2.1
     # via emmet-builders (setup.py)
-wrapt==1.16.0
+wrapt==1.17.0
     # via smart-open
-yarl==1.17.1
+yarl==1.18.3
     # via aiohttp
 
 # The following packages are considered to be unsafe in a requirements file: