pyEQL 0.13.0__py2.py3-none-any.whl → 0.14.0__py2.py3-none-any.whl

pyEQL/engines.py

@@ -159,7 +159,15 @@ class NativeEOS(EOS):
             Path(os.path.dirname(__file__)) / "database" if self.phreeqc_db in ["llnl.dat", "geothermal.dat"] else None
         )
         # create the PhreeqcPython instance
-        self.pp = PhreeqPython(database=self.phreeqc_db, database_directory=self.db_path)
+        # try/except added to catch unsupported architectures, such as Apple Silicon
+        try:
+            self.pp = PhreeqPython(database=self.phreeqc_db, database_directory=self.db_path)
+        except OSError:
+            logger.error(
+                "OSError encountered when trying to instantiate phreeqpython. Most likely this means you"
+                " are running on an architecture that is not supported by PHREEQC, such as Apple M1/M2 chips."
+                " pyEQL will work, but equilibrate() will have no effect."
+            )
         # attributes to hold the PhreeqPython solution.
         self.ppsol = None
         # store the solution composition to see whether we need to re-instantiate the solution

pyEQL/solution.py

@@ -169,7 +169,7 @@ class Solution(MSONable):
         if database is None:
             # load the default database, which is a JSONStore
             db_store = IonDB
-        elif isinstance(database, str | Path):
+        elif isinstance(database, (str, Path)):
             db_store = JSONStore(str(database), key="formula")
             logger.info(f"Created maggma JSONStore from .json file {database}")
         else:

pyEQL/utils.py

@@ -99,5 +99,10 @@ class FormulaDict(UserDict):
         # sort contents anytime an item is set
         self.data = dict(sorted(self.items(), key=lambda x: x[1], reverse=True))
 
+    # Necessary to define this so that .get() works properly in python 3.12+
+    # see https://github.com/python/cpython/issues/105524
+    def __contains__(self, key):
+        return standardize_formula(key) in self.data
+
     def __delitem__(self, key):
         super().__delitem__(standardize_formula(key))

{pyEQL-0.13.0.dist-info → pyEQL-0.14.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: pyEQL
-Version: 0.13.0
+Version: 0.14.0
 Summary: Python tools for solution chemistry
 Home-page: https://github.com/KingsburyLab/pyEQL
 Author: Ryan Kingsbury

{pyEQL-0.13.0.dist-info → pyEQL-0.14.0.dist-info}/RECORD

@@ -1,14 +1,14 @@
 pyEQL/__init__.py,sha256=bW3CxQ7Wi4uNIgPtsimLXvLln2N3WMGSvZxpTE-ireY,1963
 pyEQL/activity_correction.py,sha256=5zG6TofIx5xV0q_To3o6XZ1VLHvp5Q5vIxonqKu-7jg,37003
-pyEQL/engines.py,sha256=xeTF-qWUmgxxhmN-lg-Y76_HocBwPNMabjJSZ0DvtJ8,32575
+pyEQL/engines.py,sha256=7sQ5DJ2f8OoF0aXn8q6Cs10xEzGRuv6K8W8c8-4mVic,33033
 pyEQL/equilibrium.py,sha256=Zwn-NstMXE-6X4zulcZ2z0Vk3GX8yoNKVN0hnRXud_Q,8281
 pyEQL/functions.py,sha256=nuyR6hrLQZfSkzOqDm6W6lgMxQpbKT6IRuAj-rPXsjk,16116
 pyEQL/logging_system.py,sha256=_41vA7tZOShWuAZK9SrEM_nsfQF4VyS_xEc0yIWNsDI,2579
 pyEQL/pint_custom_units.txt,sha256=XHmcMlwVvqF9nEW7_e9Xgyq-xWEr-cDYqieas11T3eY,2882
 pyEQL/salt_ion_match.py,sha256=sk5FsyEe6MgCrX0LvGIEKl7NO2kF--SHG39AVIxgzDY,4061
 pyEQL/solute.py,sha256=LCt8xS35g4qQEWNRw3FMU9cIXce1mgkCnYMRMcAI5ZI,4992
-pyEQL/solution.py,sha256=X7KBFGIsoy1miHoszQMGFGN7rsZZs201E2VzyMcz8hk,132820
-pyEQL/utils.py,sha256=Kz6bu834_EGoLBCKbb_1bfHZzIgS9JulDHdjzuPAxaI,3349
+pyEQL/solution.py,sha256=gAVemd1-U6EW7gx8guiavZTJp0vlandkDUn0V0GL-4o,132821
+pyEQL/utils.py,sha256=RpU9W8f64PaqkCF_HhtvO9XUmXobfTh4ciyb5oShIy8,3571
 pyEQL/database/geothermal.dat,sha256=kksnfcBtWdOTpNn4CLXU1Mz16cwas2WuVKpuMU8CaVI,234230
 pyEQL/database/llnl.dat,sha256=jN-a0kfUFbQlYMn2shTVRg1JX_ZhLa-tJ0lLw2YSpLU,751462
 pyEQL/database/phreeqc_license.txt,sha256=8W1r8VxC2kVptIMSU9sDFNASYqN7MdwKEtIWWfjTQuM,2906
@@ -19,10 +19,10 @@ pyEQL/presets/rainwater.yaml,sha256=S0WHZNDfCJyjSSFxNFdkypjn2s3P0jJGCiYIxvi1ibA,
 pyEQL/presets/seawater.yaml,sha256=oryc1CkhRz20RpWE6uiGiT93HoZnqlB0s-0PmBWr3-U,843
 pyEQL/presets/urine.yaml,sha256=0Njtc-H1fFRo7UhquHdiSTT4z-8VZJ1utDCk02qk28M,679
 pyEQL/presets/wastewater.yaml,sha256=jTTFBpmKxczaEtkCZb0xUULIPZt7wfC8eAJ6rthGnmw,502
-pyEQL-0.13.0.dist-info/AUTHORS.md,sha256=K9ZLhKFwZ2zLlFXwN62VuUYCpr5T6n4mOUCUHlytTUs,415
-pyEQL-0.13.0.dist-info/COPYING,sha256=Ww2oUywfFTn242v9ksCgQdIVSpcMXJiKKePn0GFm25E,7649
-pyEQL-0.13.0.dist-info/LICENSE.txt,sha256=2Zf1F7RzbpeposgIxUydpurqNCMoMgDi2gAB65_GjwQ,969
-pyEQL-0.13.0.dist-info/METADATA,sha256=4JpzLYRD2m8CIG03xpJp15rDbX_PCIX9rnjsPzGO3_I,5653
-pyEQL-0.13.0.dist-info/WHEEL,sha256=-G_t0oGuE7UD0DrSpVZnq1hHMBV9DD2XkS5v7XpmTnk,110
-pyEQL-0.13.0.dist-info/top_level.txt,sha256=QMOaZjCAm_lS4Njsjh4L0B5aWnJFGQMYKhuH88CG1co,6
-pyEQL-0.13.0.dist-info/RECORD,,
+pyEQL-0.14.0.dist-info/AUTHORS.md,sha256=K9ZLhKFwZ2zLlFXwN62VuUYCpr5T6n4mOUCUHlytTUs,415
+pyEQL-0.14.0.dist-info/COPYING,sha256=Ww2oUywfFTn242v9ksCgQdIVSpcMXJiKKePn0GFm25E,7649
+pyEQL-0.14.0.dist-info/LICENSE.txt,sha256=2Zf1F7RzbpeposgIxUydpurqNCMoMgDi2gAB65_GjwQ,969
+pyEQL-0.14.0.dist-info/METADATA,sha256=CgQKmSyAmIArLPD71d8cgH7-LeqHH4hN4crY5cK0LhU,5653
+pyEQL-0.14.0.dist-info/WHEEL,sha256=-G_t0oGuE7UD0DrSpVZnq1hHMBV9DD2XkS5v7XpmTnk,110
+pyEQL-0.14.0.dist-info/top_level.txt,sha256=QMOaZjCAm_lS4Njsjh4L0B5aWnJFGQMYKhuH88CG1co,6
+pyEQL-0.14.0.dist-info/RECORD,,