v1.5.0 works but 1.5.1/2 do not with libIPhreeqc.so.3.6.3

[defencedog]

i cloned & compiled https://github.com/Vitens/VIPhreeqc for my aarch64 then replaced default libraries that came with pip

pip install phreeqpython==1.5.0
cd xxx/python3.10/site-packages/phreeqpython/lib
rm *
ln -s /usr/local/lib/libIPhreeqc.so.3.6.3 viphreeqc.so

everything works

In [1]: from phreeqpython import PhreeqPython
   ...: pp = PhreeqPython()
   ...: # add a solution consisting of 1 mmol CaCl2 and 2 mmol NaHCO3
   ...: solution = pp.add_solution_simple({'CaCl2':1.0,'NaHCO3':2.0})
   ...: print(solution.pH)               # 8.12
   ...: print(solution.sc)               # 427.32
   ...: print(solution.si('Calcite'))    # 0.38
   ...: print(solution.species['HCO3-']) # 0.0019
   ...: print(solution.elements['Cl'])   # 0.002 mol
8.122771293869048
427.00938278999627
0.3840663711528194
0.001921455714893849
0.0020000000000000005

but when I upgrade pip install phreeqpython==1.5.2 the above procedure is repeated but now it gives me

---------------------------------------------------------------------------
AttributeError                            Traceback (most recent call last)
Cell In[2], line 2
      1 from phreeqpython import PhreeqPython
----> 2 pp = PhreeqPython()
      3 # add a solution consisting of 1 mmol CaCl2 and 2 mmol NaHCO3
      4 solution = pp.add_solution_simple({'CaCl2':1.0,'NaHCO3':2.0})

File ~/.local/lib/python3.10/site-packages/phreeqpython/phreeqpython.py:19, in PhreeqPython.__init__(self, database, database_directory, from_file, debug)
     16 def __init__(self, database=None, database_directory = None, from_file=None,
     17     debug=False):
     18     # Create VIPhreeqc Instance
---> 19     self.ip = VIPhreeqc()
     20     self.ip.debug = debug
     21     self.chain = False

File ~/.local/lib/python3.10/site-packages/phreeqpython/viphreeqc.py:106, in VIPhreeqc.__init__(self, dll_path)
     53 self.dll = phreeqc
     54 c_int = ctypes.c_int
     55 method_mapping = [('_accumulate_line', phreeqc.AccumulateLine,
     56                    [c_int, ctypes.c_char_p], c_int),
     57                   ('_add_error', phreeqc.AddError,
     58                    [c_int, ctypes.c_char_p], c_int),
     59                   ('_add_error', phreeqc.AddWarning,
     60                    [c_int, ctypes.c_char_p], c_int),
     61                   ('_clear_accumlated_lines',
     62                    phreeqc.ClearAccumulatedLines, [c_int], c_int),
     63                   ('_create_iphreeqc', phreeqc.CreateIPhreeqc,
     64                    [ctypes.c_void_p], c_int),
     65                   ('_destroy_iphreeqc', phreeqc.DestroyIPhreeqc,
     66                    [c_int], c_int),
     67                   ('_get_component', phreeqc.GetComponent,
     68                    [c_int, c_int], ctypes.c_char_p),
     69                   ('_get_component_count', phreeqc.GetComponentCount,
     70                    [c_int], c_int),
     71                   ('_get_dump_string', phreeqc.GetDumpString,
     72                    [c_int], ctypes.c_char_p),
     73                   ('_set_dump_string_on', phreeqc.SetDumpStringOn,
     74                    [c_int], c_int),
     75                   ('_get_error_string', phreeqc.GetErrorString,
     76                    [c_int], ctypes.c_char_p),
     77                   ('_get_selected_output_column_count',
     78                    phreeqc.GetSelectedOutputColumnCount, [c_int],
     79                    c_int),
     80                   ('_get_selected_output_row_count',
     81                    phreeqc.GetSelectedOutputRowCount, [c_int], c_int),
     82                   ('_get_value', phreeqc.GetSelectedOutputValue,
     83                    [c_int, c_int, c_int, ctypes.POINTER(VAR)], c_int),
     84                   ('_load_database', phreeqc.LoadDatabase,
     85                    [c_int, ctypes.c_char_p], c_int),
     86                   ('_load_database_string', phreeqc.LoadDatabaseString,
     87                    [c_int, ctypes.c_char_p], c_int),
     88                   ('_run_string', phreeqc.RunString,
     89                    [c_int, ctypes.c_char_p], c_int),
     90                   ('_set_selected_output_file_on',
     91                    phreeqc.SetSelectedOutputFileOn, [c_int, c_int],
     92                    c_int),
     93                   # VIPHREEQC Additions:
     94                   # gas
     95                   ('_get_gas_volume', phreeqc.GetGasVolume,
     96                    [c_int, c_int], ctypes.c_double),
     97                   ('_get_gas_pressure', phreeqc.GetGasPressure,
     98                    [c_int, c_int], ctypes.c_double),
     99                   ('_get_gas_total_moles', phreeqc.GetGasTotalMoles,
    100                    [c_int, c_int], ctypes.c_double),
    101                   ('_get_gas_components', phreeqc.GetGasComponents,
    102                    [c_int, c_int], ctypes.c_char_p),
    103                   ('_get_gas_component_moles', phreeqc.GetGasComponentMoles,
    104                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    105                   # equilbrium phase
--> 106                   ('_get_equilibrium_phase_components', phreeqc.GetEquilibriumPhaseComponents,
    107                    [c_int, c_int], ctypes.c_char_p),
    108                   ('_get_equilibrium_phase_component_moles', phreeqc.GetEquilibriumPhaseComponentMoles,
    109                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    110                   # solution
    111                   ('_get_ph', phreeqc.GetPH,
    112                    [c_int, c_int], ctypes.c_double),
    113                   ('_get_pe', phreeqc.GetPe,
    114                    [c_int, c_int], ctypes.c_double),
    115                   ('_get_sc', phreeqc.GetSC,
    116                    [c_int, c_int], ctypes.c_double),
    117                   ('_get_mu', phreeqc.GetMu,
    118                    [c_int, c_int], ctypes.c_double),
    119                   ('_get_temperature', phreeqc.GetTemperature,
    120                    [c_int, c_int], ctypes.c_double),
    121                   ('_get_mass', phreeqc.GetMass,
    122                    [c_int, c_int], ctypes.c_double),
    123                   ('_get_total', phreeqc.GetTotal,
    124                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    125                   ('_get_total_element', phreeqc.GetTotalElement,
    126                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    127                   ('_get_total_ion', phreeqc.GetTotalIon,
    128                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    129                   ('_get_moles', phreeqc.GetMoles,
    130                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    131                   ('_get_activity', phreeqc.GetActivity,
    132                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    133                   ('_get_molality', phreeqc.GetMolality,
    134                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    135                   ('_get_species', phreeqc.GetSpecies,
    136                    [c_int, c_int], ctypes.c_char_p),
    137                   ('_get_species_masters', phreeqc.GetSpeciesMasters,
    138                    [c_int, c_int], ctypes.c_char_p),
    139                   ('_get_phases', phreeqc.GetPhases,
    140                    [c_int, c_int], ctypes.c_char_p),
    141                   ('_get_elements', phreeqc.GetElements,
    142                    [c_int, c_int], ctypes.c_char_p),
    143                   ('_get_si', phreeqc.GetSI,
    144                    [c_int, c_int, ctypes.c_char_p], ctypes.c_double),
    145                   ('_get_solution_list', phreeqc.GetSolutionList,
    146                    [c_int], ctypes.c_char_p)
    147                  ]
    148 for name, com_obj, argtypes, restype in method_mapping:
    149     com_obj.argtypes = argtypes

File /usr/lib/python3.10/ctypes/__init__.py:387, in CDLL.__getattr__(self, name)
    385 if name.startswith('__') and name.endswith('__'):
    386     raise AttributeError(name)
--> 387 func = self.__getitem__(name)
    388 setattr(self, name, func)
    389 return func

File /usr/lib/python3.10/ctypes/__init__.py:392, in CDLL.__getitem__(self, name_or_ordinal)
    391 def __getitem__(self, name_or_ordinal):
--> 392     func = self._FuncPtr((name_or_ordinal, self))
    393     if not isinstance(name_or_ordinal, int):
    394         func.__name__ = name_or_ordinal

AttributeError: /home/ukhan/.local/lib/python3.10/site-packages/phreeqpython/./lib/viphreeqc.so: undefined symbol: GetEquilibriumPhaseComponents

[AbelHeinsbroek]

Apologies for the late reply, the phreeqpython libraries were unfortunately based on a different branch of VIPHREEQC then the main branch. I've updated the main branch with all recent changes, if you are still working on this project you could try recompiling viphreeqc again.

[defencedog]

I will post results in 48 hours