pyEQL 1.3.0__tar.gz → 1.3.2__tar.gz

{pyeql-1.3.0 → pyeql-1.3.2}/.github/workflows/post-process.yml

@@ -15,11 +15,11 @@ jobs:
     strategy:
       max-parallel: 1
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
         with:
           fetch-depth: 0
       - name: Set up Python
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: 3.11
           cache: pip
@@ -45,9 +45,9 @@ jobs:
           - macos-14
     runs-on: ${{ matrix.os }}
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
       - name: Setup Python
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: ${{ matrix.version.python }}
       - name: Install test requirements

{pyeql-1.3.0 → pyeql-1.3.2}/.github/workflows/release.yml

@@ -39,11 +39,11 @@ jobs:
       id-token: write # IMPORTANT: this permission is mandatory for trusted publishing
 
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
         with:
           fetch-depth: 0
 
-      - uses: actions/setup-python@v5
+      - uses: actions/setup-python@v6
         with:
           python-version: "3.10"
 
@@ -57,4 +57,4 @@ jobs:
           tox -e clean,build
 
       - name: Upload to PyPi
-        uses: pypa/gh-action-pypi-publish@v1.12.4
+        uses: pypa/gh-action-pypi-publish@v1.13.0

{pyeql-1.3.0 → pyeql-1.3.2}/.github/workflows/testing.yaml

@@ -18,11 +18,11 @@ jobs:
     strategy:
       max-parallel: 1
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
         with:
           fetch-depth: 0
       - name: Set up Python
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: "3.11"
           cache: pip
@@ -50,9 +50,9 @@ jobs:
             python-version: "3.12"
     runs-on: ${{ matrix.os }}
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
       - name: Setup Python
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: ${{ matrix.python-version }}${{ matrix.dev }}
       - name: Install test requirements
@@ -70,9 +70,9 @@ jobs:
   docs:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
       - name: Setup Python
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: "3.11"
       - name: Install tox

{pyeql-1.3.0 → pyeql-1.3.2}/.github/workflows/upgrade_dependencies.yml

@@ -18,10 +18,10 @@ jobs:
         package: ["."]
         python-version: ["3.10", "3.11", "3.12"]
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
         with:
           fetch-depth: 0
-      - uses: actions/setup-python@v5
+      - uses: actions/setup-python@v6
         with:
           python-version: ${{ matrix.python-version }}
           cache: "pip"
@@ -56,7 +56,7 @@ jobs:
     runs-on: ubuntu-latest
     needs: upgrade
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v5
         with:
           fetch-depth: 0
       - name: detect auto-upgrade-dependency branches

{pyeql-1.3.0 → pyeql-1.3.2}/CHANGELOG.md

@@ -5,6 +5,22 @@ 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).
 
+## [1.3.2] - 2025-09-15
+
+### Fixed
+
+- `Solution.get_viscosity_kinematic()`: A recent change to get_salt_dict (#258) created a problem with `get_viscosity_kinetmatic`
+  in which an empty solution would cause the method to return an error. This has been fixed, and unit tests added for both
+  `get_viscosity_kinematic` and `get_viscosity_dynamic`.
+
+## [1.3.1] - 2025-08-18
+
+### Fixed
+
+- `Solution.get_salt_dict()`: In solutions containing polyatomic ions with a heteroatom (an atom other than `H` or `O`)
+  having a stoichiometric coefficient greater than 1 mol per mol salt , such as Fe(CN)6[-3], the method would
+  return incorrect results, possibly impacting activity coefficient calculations. This has now been fixed.  (#277, @ugognw)
+
 ## [1.3.0] - 2025-08-08
 
 ### Fixed

{pyeql-1.3.0/src/pyEQL.egg-info → pyeql-1.3.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyEQL
-Version: 1.3.0
+Version: 1.3.2
 Summary: A python interface for solution chemistry
 Author-email: Ryan Kingsbury <kingsbury@princeton.edu>
 License-Expression: LGPL-3.0-or-later

{pyeql-1.3.0 → pyeql-1.3.2}/docs/changelog.md

@@ -5,6 +5,22 @@ 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).
 
+## [1.3.2] - 2025-09-15
+
+### Fixed
+
+- `Solution.get_viscosity_kinematic()`: A recent change to get_salt_dict (#258) created a problem with `get_viscosity_kinetmatic`
+  in which an empty solution would cause the method to return an error. This has been fixed, and unit tests added for both
+  `get_viscosity_kinematic` and `get_viscosity_dynamic`.
+
+## [1.3.1] - 2025-08-18
+
+### Fixed
+
+- `Solution.get_salt_dict()`: In solutions containing polyatomic ions with a heteroatom (an atom other than `H` or `O`)
+  having a stoichiometric coefficient greater than 1 mol per mol salt , such as Fe(CN)6[-3], the method would
+  return incorrect results, possibly impacting activity coefficient calculations. This has now been fixed.  (#277, @ugognw)
+
 ## [1.3.0] - 2025-08-08
 
 ### Fixed

{pyeql-1.3.0 → pyeql-1.3.2}/requirements/macos-latest_py3.10.txt

@@ -15,27 +15,29 @@ attrs==25.3.0
     #   referencing
 bcrypt==4.3.0
     # via paramiko
-boto3==1.37.31
+bibtexparser==1.4.3
+    # via pymatgen
+boto3==1.40.27
     # via maggma
-botocore==1.37.31
+botocore==1.40.27
     # via
     #   boto3
     #   s3transfer
-certifi==2025.1.31
+certifi==2025.8.3
     # via requests
-cffi==1.17.1
+cffi==2.0.0
     # via
     #   cryptography
     #   pynacl
-charset-normalizer==3.4.1
+charset-normalizer==3.4.3
     # via requests
-contourpy==1.3.1
+contourpy==1.3.2
     # via matplotlib
-cryptography==44.0.2
+cryptography==45.0.7
     # via paramiko
 cycler==0.12.1
     # via matplotlib
-dnspython==2.7.0
+dnspython==2.8.0
     # via
     #   maggma
     #   pymongo
@@ -43,31 +45,31 @@ flexcache==0.3
     # via pint
 flexparser==0.4
     # via pint
-fonttools==4.57.0
+fonttools==4.59.2
     # via matplotlib
 iapws==1.5.4
     # via pyEQL (setup.py)
 idna==3.10
     # via requests
+invoke==2.2.0
+    # via paramiko
 jmespath==1.0.1
     # via
     #   boto3
     #   botocore
-joblib==1.4.2
+joblib==1.5.2
     # via pymatgen
 jsonlines==4.0.0
     # via maggma
-jsonschema==4.23.0
+jsonschema==4.25.1
     # via maggma
-jsonschema-specifications==2024.10.1
+jsonschema-specifications==2025.9.1
     # via jsonschema
-kiwisolver==1.4.8
+kiwisolver==1.4.9
     # via matplotlib
-latexcodec==3.0.0
-    # via pybtex
-maggma==0.71.5
+maggma==0.72.0
     # via pyEQL (setup.py)
-matplotlib==3.10.1
+matplotlib==3.10.6
     # via pymatgen
 mongomock==4.3.0
     # via maggma
@@ -78,13 +80,13 @@ monty==2025.3.3
     #   pymatgen
 mpmath==1.3.0
     # via sympy
-msgpack==1.1.0
+msgpack==1.1.1
     # via maggma
-narwhals==1.34.1
+narwhals==2.4.0
     # via plotly
 networkx==3.4.2
     # via pymatgen
-numpy==2.2.4
+numpy==2.2.6
     # via
     #   contourpy
     #   maggma
@@ -96,48 +98,48 @@ numpy==2.2.4
     #   pymatgen
     #   scipy
     #   spglib
-orjson==3.10.16
-    # via maggma
-packaging==24.2
+orjson==3.11.3
+    # via
+    #   maggma
+    #   pymatgen
+packaging==25.0
     # via
     #   matplotlib
     #   mongomock
     #   plotly
 palettable==3.3.3
     # via pymatgen
-pandas==2.2.3
+pandas==2.3.2
     # via
     #   maggma
     #   pymatgen
-paramiko==3.5.1
+paramiko==4.0.0
     # via sshtunnel
 periodictable==2.0.2
     # via phreeqpython
-phreeqpython==1.5.4
+phreeqpython==1.5.5
     # via pyEQL (setup.py)
-pillow==11.1.0
+pillow==11.3.0
     # via matplotlib
 pint==0.24.4
     # via pyEQL (setup.py)
-platformdirs==4.3.7
+platformdirs==4.4.0
     # via pint
-plotly==6.0.1
+plotly==6.3.0
     # via pymatgen
-pybtex==0.24.0
-    # via pymatgen
-pycparser==2.22
+pycparser==2.23
     # via cffi
-pydantic==2.11.3
+pydantic==2.11.7
     # via
     #   maggma
     #   pydantic-settings
-pydantic-core==2.33.1
+pydantic-core==2.33.2
     # via pydantic
-pydantic-settings==2.8.1
+pydantic-settings==2.10.1
     # via maggma
 pydash==8.0.5
     # via maggma
-pymatgen==2025.3.10
+pymatgen==2025.6.14
     # via pyEQL (setup.py)
 pymongo==4.10.1
     # via maggma
@@ -145,6 +147,7 @@ pynacl==1.5.0
     # via paramiko
 pyparsing==3.2.3
     # via
+    #   bibtexparser
     #   matplotlib
     #   periodictable
 python-dateutil==2.9.0.post0
@@ -153,51 +156,47 @@ python-dateutil==2.9.0.post0
     #   maggma
     #   matplotlib
     #   pandas
-python-dotenv==1.1.0
+python-dotenv==1.1.1
     # via pydantic-settings
 pytz==2025.2
     # via
     #   mongomock
     #   pandas
-pyyaml==6.0.2
-    # via pybtex
-pyzmq==26.4.0
+pyzmq==27.1.0
     # via maggma
 referencing==0.36.2
     # via
     #   jsonschema
     #   jsonschema-specifications
-requests==2.32.4
+requests==2.32.5
     # via pymatgen
-rpds-py==0.24.0
+rpds-py==0.27.1
     # via
     #   jsonschema
     #   referencing
-ruamel-yaml==0.18.10
+ruamel-yaml==0.18.15
     # via
     #   maggma
     #   monty
     #   pymatgen
 ruamel-yaml-clib==0.2.12
     # via ruamel-yaml
-s3transfer==0.11.4
+s3transfer==0.14.0
     # via boto3
-scipy==1.15.2
+scipy==1.15.3
     # via
     #   iapws
     #   pyEQL (setup.py)
     #   pymatgen
-sentinels==1.0.0
+sentinels==1.1.1
     # via mongomock
 six==1.17.0
-    # via
-    #   pybtex
-    #   python-dateutil
+    # via python-dateutil
 spglib==2.6.0
     # via pymatgen
 sshtunnel==0.4.0
     # via maggma
-sympy==1.13.3
+sympy==1.14.0
     # via pymatgen
 tabulate==0.9.0
     # via pymatgen
@@ -205,7 +204,7 @@ tqdm==4.67.1
     # via
     #   maggma
     #   pymatgen
-typing-extensions==4.13.1
+typing-extensions==4.15.0
     # via
     #   flexcache
     #   flexparser
@@ -216,11 +215,13 @@ typing-extensions==4.13.1
     #   referencing
     #   spglib
     #   typing-inspection
-typing-inspection==0.4.0
-    # via pydantic
+typing-inspection==0.4.1
+    # via
+    #   pydantic
+    #   pydantic-settings
 tzdata==2025.2
     # via pandas
-uncertainties==3.2.2
+uncertainties==3.2.3
     # via pymatgen
 urllib3==2.5.0
     # via