pyEQL 1.1.5__tar.gz → 1.2.0__tar.gz

{pyeql-1.1.5 → pyeql-1.2.0}/.github/workflows/post-process.yml

@@ -33,26 +33,27 @@ jobs:
     strategy:
       max-parallel: 6
       matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        version:
+          - { python: "3.10", resolution: lowest-direct, extras: testing }
+          - { python: "3.11", resolution: highest, extras: testing }
+          - { python: "3.12", resolution: lowest-direct, extras: testing }
         os:
           - ubuntu-latest
           - macos-latest
           - windows-latest
           - macos-14
-        exclude:
-          - os: macos-14
-            python-version: "3.9"
     runs-on: ${{ matrix.os }}
     steps:
       - uses: actions/checkout@v4
       - name: Setup Python
         uses: actions/setup-python@v5
         with:
-          python-version: ${{ matrix.python-version }}${{ matrix.dev }}
+          python-version: ${{ matrix.version.python }}
       - name: Install test requirements
         run: |
           python -m pip install --upgrade pip
-          pip install -e ".[testing]"
+          pip install uv
+          uv pip install '.[${{ matrix.version.extras }}]' --system --resolution=${{ matrix.version.resolution }}
       - name: Run tests
         run: |
           pytest -n auto --cov=src/pyEQL --cov-report=xml

{pyeql-1.1.5 → pyeql-1.2.0}/.github/workflows/release.yml

@@ -57,4 +57,4 @@ jobs:
           tox -e clean,build
 
       - name: Upload to PyPi
-        uses: pypa/gh-action-pypi-publish@v1.8.14
+        uses: pypa/gh-action-pypi-publish@v1.10.1

{pyeql-1.1.5 → pyeql-1.2.0}/.github/workflows/testing.yaml

@@ -23,7 +23,7 @@ jobs:
       - name: Set up Python
         uses: actions/setup-python@v5
         with:
-          python-version: 3.11
+          python-version: "3.11"
           cache: pip
       - name: Run pre-commit
         run: |
@@ -36,7 +36,7 @@ jobs:
       max-parallel: 6
       matrix:
         # for most PRs, test the min and max supported python on every platform, test all python on ubuntu
-        python-version: ["3.9", "3.12"]
+        python-version: ["3.10", "3.12"]
         os:
           - ubuntu-latest
           - macos-latest
@@ -47,10 +47,6 @@ jobs:
             python-version: "3.10"
           - os: ubuntu-latest
             python-version: "3.11"
-        # no python 3.9 on the macos-14 runner
-        exclude:
-          - os: macos-14
-            python-version: "3.9"
     runs-on: ${{ matrix.os }}
     steps:
       - uses: actions/checkout@v4
@@ -77,7 +73,7 @@ jobs:
       - name: Setup Python
         uses: actions/setup-python@v5
         with:
-          python-version: 3.9
+          python-version: "3.10"
       - name: Install tox
         run: |
           python -m pip install tox

{pyeql-1.1.5 → pyeql-1.2.0}/.github/workflows/upgrade_dependencies.yml

@@ -6,7 +6,7 @@ on:
   workflow_dispatch: # Allow running on-demand
   schedule:
     # Runs on the 10th day of every month at 8:00 UTC (4:00 Eastern)
-    - cron: '0 8 10 * *'
+    - cron: "0 8 10 * *"
 
 jobs:
   upgrade:
@@ -14,9 +14,9 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: ['ubuntu-latest', 'macos-latest', 'windows-latest']
+        os: ["ubuntu-latest", "macos-latest", "windows-latest"]
         package: ["."]
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        python-version: ["3.10", "3.11", "3.12"]
     steps:
       - uses: actions/checkout@v4
         with:
@@ -24,7 +24,7 @@ jobs:
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
-          cache: 'pip'
+          cache: "pip"
       - name: Upgrade Python dependencies
         shell: bash
         run: |

{pyeql-1.1.5 → pyeql-1.2.0}/.pre-commit-config.yaml

@@ -12,13 +12,13 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.5.5
+    rev: v0.6.7
     hooks:
       - id: ruff
         args: [--fix, --ignore, "D,E501", "--show-fixes"]
 
   - repo: https://github.com/psf/black-pre-commit-mirror
-    rev: 24.4.2
+    rev: 24.8.0
     hooks:
       - id: black
 
@@ -41,8 +41,8 @@ repos:
         exclude_types: [svg]
       - id: trailing-whitespace
         exclude_types: [svg]
-
-  - repo: https://github.com/pre-commit/mirrors-prettier
-    rev: v4.0.0-alpha.8
-    hooks:
-      - id: prettier
+      - id: pretty-format-json
+        indent: 4
+        exclude_types: [jupyter]
+      - id: check-yaml
+      - id: check-toml

{pyeql-1.1.5 → pyeql-1.2.0}/AUTHORS.md

@@ -5,9 +5,12 @@ developed and maintained by the Kingsbury Lab at Princeton University.
 
 Other contributors, listed alphabetically, are:
 
-* Kirill Pushkarev (@kirill-push)
-* Dhruv Duseja (@DhruvDuseja)
-* Andrew Rosen (@arosen93)
-* Hernan Grecco (@hgrecco)
+- Arpit Bhardwaj (@abhardwaj73)
+- Dhruv Duseja (@DhruvDuseja)
+- Hernan Grecco (@hgrecco)
+- Jaebeom Park (@Jaebeom-P)
+- Kirill Pushkarev (@kirill-push)
+- Andrew Rosen (@arosen93)
+- Sui Xiong Tay (@SuixiongTay)
 
 (If you think that your name belongs here, please let the maintainer know)

{pyeql-1.1.5 → pyeql-1.2.0}/CHANGELOG.md

@@ -5,6 +5,50 @@ All notable changes to this project will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## [1.2.0] - 2024-09-24
+
+### Fixed
+
+- Database: removed several erroneous species (such as `CO32-` which was really `CO3[-2]`),
+  corrected other parsing errors, and updated formula syntax for consistency with recent
+  `standardize_formula` changes (e.g., `H4NCl -> NH4Cl`) (#190, @rkingsbury)
+
+### Changed
+
+- Bump `pymatgen` to `v2024.9.10` for additional upstream formula fixes. (#188, @abhardwaj73)
+
+### Removed
+
+- **BREAKING** - dropped python 3.9 support, in accordance with numpy deprecation policy.
+  (#188, @abhardwaj73)
+
+## [1.1.6] - 2024-09-01
+
+### Fixed
+
+- `Solution.get_total_amount`: Bugfix that caused an error when called on certain elements
+  without specifying an oxidation state. For example, `get_total_amount('N')` could raise
+  an exception in a solution containing `Na` (but no `N`) due to a flaw in a logical
+  test.
+- `Solution._adjust_charge_balance`: Removed a misleading and redundant log message (#162, @SuixiongTay)
+
+### Added
+
+- `gibbs_mix`: A new keyword argument `activity_correction` was added to `gibbs_mix`. It defaults
+  to `True` (no change from prior behavior), but can be set to `False` in order to calculate the
+  ideal mixing energy, which is equivalent to only considering entropic effects. (#178, @Jaebeom-P)
+- `standardize_formula`: Improve formatting of ammonium sulfate salts. Aqueous ammonium sulfate previously
+  standardized to `H8S(NO2)2(aq)`, now it will display as `(NH4)2SO4(aq)`.
+
+### Changed
+
+- **BREAKING** `entropy_mix` now returns the ideal mixing _entropy_ in units of J/K rather than the mixing
+  _energy_ in J. This was done to improve clarity with respect to the function name. An `activity_correction`
+  kwarg was added to `gibbs_mix` so that you can still calculate the ideal mixing energy by setting it to `False`.
+  (#178, @Jaebeom-P)
+- Revise documentation of `gibbs_mix`, `entropy_mix`, and `donnan_eql`. (#178, @Jaebeom-P)
+- CI: Improve comprehensiveness of CI dependency testing. (#163, #164, @abhardwaj73)
+
 ## [1.1.5] - 2024-07-28
 
 ### Fixed

{pyeql-1.1.5 → pyeql-1.2.0}/CITATION.cff

@@ -1,16 +1,16 @@
 cff-version: "1.2.0"
 authors:
-- family-names: Kingsbury
-  given-names: Ryan
-  orcid: "https://orcid.org/0000-0002-7168-3967"
+  - family-names: Kingsbury
+    given-names: Ryan
+    orcid: "https://orcid.org/0000-0002-7168-3967"
 doi: 10.5281/zenodo.8332915
 message: If you use this software, please cite our article in the
   Journal of Open Source Software.
 preferred-citation:
   authors:
-  - family-names: Kingsbury
-    given-names: Ryan
-    orcid: "https://orcid.org/0000-0002-7168-3967"
+    - family-names: Kingsbury
+      given-names: Ryan
+      orcid: "https://orcid.org/0000-0002-7168-3967"
   date-published: 2024-03-25
   doi: 10.21105/joss.06295
   issn: 2475-9066

{pyeql-1.1.5/src/pyEQL.egg-info → pyeql-1.2.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: pyEQL
-Version: 1.1.5
+Version: 1.2.0
 Summary: A python interface for solution chemistry
 Author-email: Ryan Kingsbury <kingsbury@princeton.edu>
 Project-URL: Docs, https://pyeql.readthedocs.io/
@@ -15,28 +15,28 @@ Classifier: Development Status :: 4 - Beta
 Classifier: Intended Audience :: Science/Research
 Classifier: Operating System :: OS Independent
 Classifier: Topic :: Scientific/Engineering
-Requires-Python: >=3.9
+Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE.txt
 License-File: COPYING
 License-File: AUTHORS.md
 Requires-Dist: pint>=0.19
-Requires-Dist: numpy<2
-Requires-Dist: scipy
-Requires-Dist: pymatgen==2024.5.1
-Requires-Dist: iapws
+Requires-Dist: numpy<2,>1.26
+Requires-Dist: scipy>=1.12
+Requires-Dist: pymatgen>=2024.9.10
+Requires-Dist: iapws>=1.5.3
 Requires-Dist: monty>=2024.7.12
 Requires-Dist: maggma>=0.67.0
-Requires-Dist: phreeqpython
+Requires-Dist: phreeqpython>=1.5.2
 Provides-Extra: testing
-Requires-Dist: setuptools; extra == "testing"
-Requires-Dist: pre-commit; extra == "testing"
-Requires-Dist: pytest; extra == "testing"
-Requires-Dist: pytest-cov; extra == "testing"
-Requires-Dist: pytest-xdist; extra == "testing"
+Requires-Dist: setuptools>=68; extra == "testing"
+Requires-Dist: pre-commit>=2; extra == "testing"
+Requires-Dist: pytest>=7; extra == "testing"
+Requires-Dist: pytest-cov>=2.11; extra == "testing"
+Requires-Dist: pytest-xdist>2; extra == "testing"
 Requires-Dist: black; extra == "testing"
-Requires-Dist: mypy; extra == "testing"
-Requires-Dist: ruff; extra == "testing"
+Requires-Dist: mypy>1; extra == "testing"
+Requires-Dist: ruff>0.0.100; extra == "testing"
 Requires-Dist: tox<4; extra == "testing"
 Provides-Extra: docs
 Requires-Dist: sphinx>=3.2.1; extra == "docs"
@@ -48,7 +48,7 @@ Requires-Dist: rich; extra == "full"
 [![Read the Docs](https://img.shields.io/readthedocs/pyeql)](https://pyeql.readthedocs.io/en/latest/)
 [![testing](https://github.com/KingsburyLab/pyeql/workflows/testing/badge.svg)](https://github.com/KingsburyLab/pyeql/actions?query=workflow%3Atesting)
 [![codecov](https://codecov.io/gh/KingsburyLab/pyeql/branch/main/graph/badge.svg?token=I7RP0QML6S)](https://codecov.io/gh/KingsburyLab/pyeql)
-![Supported python versions](https://img.shields.io/badge/python-3.9%20%7C%203.10%20%7C%203.11%20%7C%203.12-blue)
+![Supported python versions](https://img.shields.io/badge/python-3.10%20%7C%203.11%20%7C%203.12-blue)
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8332915.svg)](https://doi.org/10.5281/zenodo.8332915)
 [![PyPI version](https://badge.fury.io/py/pyEQL.svg)](https://badge.fury.io/py/pyEQL)
 [![status](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6/status.svg)](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6)
@@ -112,7 +112,7 @@ Detailed documentation is available at [https://pyeql.readthedocs.io/](https://p
 
 ### Dependencies
 
-- Python 3.9+. This project will attempt to adhere to NumPy's
+- Python 3.10+. This project will attempt to adhere to NumPy's
   [NEP 29](https://numpy.org/neps/nep-0029-deprecation_policy.html) deprecation policy
   for older version of Python.
 - [pint](https://github.com/hgrecco/pint) - for units-aware calculations

{pyeql-1.1.5 → pyeql-1.2.0}/README.md

@@ -1,7 +1,7 @@
 [![Read the Docs](https://img.shields.io/readthedocs/pyeql)](https://pyeql.readthedocs.io/en/latest/)
 [![testing](https://github.com/KingsburyLab/pyeql/workflows/testing/badge.svg)](https://github.com/KingsburyLab/pyeql/actions?query=workflow%3Atesting)
 [![codecov](https://codecov.io/gh/KingsburyLab/pyeql/branch/main/graph/badge.svg?token=I7RP0QML6S)](https://codecov.io/gh/KingsburyLab/pyeql)
-![Supported python versions](https://img.shields.io/badge/python-3.9%20%7C%203.10%20%7C%203.11%20%7C%203.12-blue)
+![Supported python versions](https://img.shields.io/badge/python-3.10%20%7C%203.11%20%7C%203.12-blue)
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8332915.svg)](https://doi.org/10.5281/zenodo.8332915)
 [![PyPI version](https://badge.fury.io/py/pyEQL.svg)](https://badge.fury.io/py/pyEQL)
 [![status](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6/status.svg)](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6)
@@ -65,7 +65,7 @@ Detailed documentation is available at [https://pyeql.readthedocs.io/](https://p
 
 ### Dependencies
 
-- Python 3.9+. This project will attempt to adhere to NumPy's
+- Python 3.10+. This project will attempt to adhere to NumPy's
   [NEP 29](https://numpy.org/neps/nep-0029-deprecation_policy.html) deprecation policy
   for older version of Python.
 - [pint](https://github.com/hgrecco/pint) - for units-aware calculations

{pyeql-1.1.5 → pyeql-1.2.0}/docs/authors.md

@@ -5,9 +5,12 @@ developed and maintained by the Kingsbury Lab at Princeton University.
 
 Other contributors, listed alphabetically, are:
 
-* Kirill Pushkarev (@kirill-push)
-* Dhruv Duseja (@DhruvDuseja)
-* Andrew Rosen (@arosen93)
-* Hernan Grecco (@hgrecco)
+- Arpit Bhardwaj (@abhardwaj73)
+- Dhruv Duseja (@DhruvDuseja)
+- Hernan Grecco (@hgrecco)
+- Jaebeom Park (@Jaebeom-P)
+- Kirill Pushkarev (@kirill-push)
+- Andrew Rosen (@arosen93)
+- Sui Xiong Tay (@SuixiongTay)
 
 (If you think that your name belongs here, please let the maintainer know)

{pyeql-1.1.5 → pyeql-1.2.0}/docs/changelog.md

@@ -5,6 +5,50 @@ All notable changes to this project will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## [1.2.0] - 2024-09-24
+
+### Fixed
+
+- Database: removed several erroneous species (such as `CO32-` which was really `CO3[-2]`),
+  corrected other parsing errors, and updated formula syntax for consistency with recent
+  `standardize_formula` changes (e.g., `H4NCl -> NH4Cl`) (#190, @rkingsbury)
+
+### Changed
+
+- Bump `pymatgen` to `v2024.9.10` for additional upstream formula fixes. (#188, @abhardwaj73)
+
+### Removed
+
+- **BREAKING** - dropped python 3.9 support, in accordance with numpy deprecation policy.
+  (#188, @abhardwaj73)
+
+## [1.1.6] - 2024-09-01
+
+### Fixed
+
+- `Solution.get_total_amount`: Bugfix that caused an error when called on certain elements
+  without specifying an oxidation state. For example, `get_total_amount('N')` could raise
+  an exception in a solution containing `Na` (but no `N`) due to a flaw in a logical
+  test.
+- `Solution._adjust_charge_balance`: Removed a misleading and redundant log message (#162, @SuixiongTay)
+
+### Added
+
+- `gibbs_mix`: A new keyword argument `activity_correction` was added to `gibbs_mix`. It defaults
+  to `True` (no change from prior behavior), but can be set to `False` in order to calculate the
+  ideal mixing energy, which is equivalent to only considering entropic effects. (#178, @Jaebeom-P)
+- `standardize_formula`: Improve formatting of ammonium sulfate salts. Aqueous ammonium sulfate previously
+  standardized to `H8S(NO2)2(aq)`, now it will display as `(NH4)2SO4(aq)`.
+
+### Changed
+
+- **BREAKING** `entropy_mix` now returns the ideal mixing _entropy_ in units of J/K rather than the mixing
+  _energy_ in J. This was done to improve clarity with respect to the function name. An `activity_correction`
+  kwarg was added to `gibbs_mix` so that you can still calculate the ideal mixing energy by setting it to `False`.
+  (#178, @Jaebeom-P)
+- Revise documentation of `gibbs_mix`, `entropy_mix`, and `donnan_eql`. (#178, @Jaebeom-P)
+- CI: Improve comprehensiveness of CI dependency testing. (#163, #164, @abhardwaj73)
+
 ## [1.1.5] - 2024-07-28
 
 ### Fixed

{pyeql-1.1.5 → pyeql-1.2.0}/docs/creating.md

@@ -2,7 +2,6 @@
 
 The `Solution` class defines a pythonic interface for **creating**, **modifying**, and **estimating properties** of electrolyte solutions. It is the core feature of `pyEQL` and the primary user-facing class. There are several ways to create a `Solution`.
 
-
 ## Empty solution
 
 With no input arguments, you get an empty `Solution` at pH 7 and 1 atm pressure.
@@ -29,7 +28,6 @@ passed as a `dict` with amounts given **as strings** that include units (see [un
 
 You can also specify conditions such as temperature, pressure, pH, and pE (redox potential).
 
-
 Finally, you can manually create a solution with any list of solutes, temperature, pressure, etc. that you need:
 
 ```python

{pyeql-1.1.5 → pyeql-1.2.0}/docs/readme.md

@@ -1,7 +1,7 @@
 [![Read the Docs](https://img.shields.io/readthedocs/pyeql)](https://pyeql.readthedocs.io/en/latest/)
 [![testing](https://github.com/KingsburyLab/pyeql/workflows/testing/badge.svg)](https://github.com/KingsburyLab/pyeql/actions?query=workflow%3Atesting)
 [![codecov](https://codecov.io/gh/KingsburyLab/pyeql/branch/main/graph/badge.svg?token=I7RP0QML6S)](https://codecov.io/gh/KingsburyLab/pyeql)
-![Supported python versions](https://img.shields.io/badge/python-3.9%20%7C%203.10%20%7C%203.11%20%7C%203.12-blue)
+![Supported python versions](https://img.shields.io/badge/python-3.10%20%7C%203.11%20%7C%203.12-blue)
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8332915.svg)](https://doi.org/10.5281/zenodo.8332915)
 [![PyPI version](https://badge.fury.io/py/pyEQL.svg)](https://badge.fury.io/py/pyEQL)
 [![status](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6/status.svg)](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6)
@@ -65,7 +65,7 @@ Detailed documentation is available at [https://pyeql.readthedocs.io/](https://p
 
 ### Dependencies
 
-- Python 3.9+. This project will attempt to adhere to NumPy's
+- Python 3.10+. This project will attempt to adhere to NumPy's
   [NEP 29](https://numpy.org/neps/nep-0029-deprecation_policy.html) deprecation policy
   for older version of Python.
 - [pint](https://github.com/hgrecco/pint) - for units-aware calculations

{pyeql-1.1.5 → pyeql-1.2.0}/docs/requirements.txt

@@ -4,7 +4,7 @@
 pint>=0.19
 numpy
 scipy
-pymatgen>=2023.10.11
+pymatgen>=2024.9.10
 iapws
 monty
 maggma

{pyeql-1.1.5 → pyeql-1.2.0}/pyproject.toml

@@ -18,16 +18,16 @@ classifiers=[
         "Topic :: Scientific/Engineering",
     ]
 license = {file = "LICENSE"}
-requires-python = ">=3.9"
+requires-python = ">=3.10"
 dependencies = [
         "pint>=0.19",
-        "numpy<2",
-        "scipy",
-        "pymatgen==2024.5.1",
-        "iapws",
+        "numpy>1.26,<2",
+        "scipy>=1.12",
+        "pymatgen>=2024.9.10",
+        "iapws>=1.5.3",
         "monty>=2024.7.12",
         "maggma>=0.67.0",
-        "phreeqpython",
+        "phreeqpython>=1.5.2",
     ]
 
 [project.urls]
@@ -38,14 +38,14 @@ Package = "https://pypi.org/project/pyEQL"
 
 [project.optional-dependencies]
 testing = [
-    "setuptools",
-    "pre-commit",
-    "pytest",
-    "pytest-cov",
-    "pytest-xdist",
+    "setuptools>=68",
+    "pre-commit>=2",
+    "pytest>=7",
+    "pytest-cov>=2.11",
+    "pytest-xdist>2",
     "black",
-    "mypy",
-    "ruff",
+    "mypy>1",
+    "ruff>0.0.100",
     "tox<4",
     ]
 docs = [

{pyeql-1.1.5 → pyeql-1.2.0}/requirements/macos-latest_py3.10.txt

@@ -10,22 +10,22 @@ annotated-types==0.7.0
     # via pydantic
 appdirs==1.4.4
     # via pint
-attrs==23.2.0
+attrs==24.2.0
     # via
     #   jsonlines
     #   jsonschema
     #   referencing
-bcrypt==4.1.3
+bcrypt==4.2.0
     # via paramiko
-boto3==1.34.142
+boto3==1.34.158
     # via maggma
-botocore==1.34.142
+botocore==1.34.158
     # via
     #   boto3
     #   s3transfer
 certifi==2024.7.4
     # via requests
-cffi==1.16.0
+cffi==1.17.0
     # via
     #   cryptography
     #   pynacl
@@ -33,7 +33,7 @@ charset-normalizer==3.3.2
     # via requests
 contourpy==1.2.1
     # via matplotlib
-cryptography==42.0.8
+cryptography==43.0.1
     # via paramiko
 cycler==0.12.1
     # via matplotlib
@@ -67,13 +67,13 @@ kiwisolver==1.4.5
     # via matplotlib
 latexcodec==3.0.0
     # via pybtex
-maggma==0.69.0
+maggma==0.69.1
     # via pyEQL (setup.py)
-matplotlib==3.9.1
+matplotlib==3.9.1.post1
     # via pymatgen
 mongomock==4.1.2
     # via maggma
-monty==2024.5.24
+monty==2024.7.30
     # via
     #   maggma
     #   pyEQL (setup.py)
@@ -95,7 +95,7 @@ numpy==1.26.4
     #   pymatgen
     #   scipy
     #   spglib
-orjson==3.10.6
+orjson==3.10.7
     # via maggma
 packaging==24.1
     # via
@@ -116,9 +116,9 @@ phreeqpython==1.5.2
     # via pyEQL (setup.py)
 pillow==10.4.0
     # via matplotlib
-pint==0.24.1
+pint==0.24.3
     # via pyEQL (setup.py)
-plotly==5.22.0
+plotly==5.23.0
     # via pymatgen
 pybtex==0.24.0
     # via pymatgen
@@ -130,9 +130,9 @@ pydantic==2.8.2
     #   pydantic-settings
 pydantic-core==2.20.1
     # via pydantic
-pydantic-settings==2.3.4
+pydantic-settings==2.4.0
     # via maggma
-pydash==8.0.1
+pydash==8.0.3
     # via maggma
 pymatgen==2024.5.1
     # via pyEQL (setup.py)
@@ -154,9 +154,9 @@ python-dotenv==1.0.1
     # via pydantic-settings
 pytz==2024.1
     # via pandas
-pyyaml==6.0.1
+pyyaml==6.0.2
     # via pybtex
-pyzmq==26.0.3
+pyzmq==26.1.0
     # via maggma
 referencing==0.35.1
     # via
@@ -164,7 +164,7 @@ referencing==0.35.1
     #   jsonschema-specifications
 requests==2.32.3
     # via pymatgen
-rpds-py==0.19.0
+rpds-py==0.20.0
     # via
     #   jsonschema
     #   referencing
@@ -188,17 +188,17 @@ six==1.16.0
     # via
     #   pybtex
     #   python-dateutil
-spglib==2.4.0
+spglib==2.5.0
     # via pymatgen
 sshtunnel==0.4.0
     # via maggma
-sympy==1.13.0
+sympy==1.13.1
     # via pymatgen
 tabulate==0.9.0
     # via pymatgen
-tenacity==8.5.0
+tenacity==9.0.0
     # via plotly
-tqdm==4.66.4
+tqdm==4.66.5
     # via
     #   maggma
     #   pymatgen