PetThermoTools 0.2.43__tar.gz → 0.2.44__tar.gz

{PetThermoTools-0.2.43/src/PetThermoTools.egg-info → PetThermoTools-0.2.44}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PetThermoTools
-Version: 0.2.43
+Version: 0.2.44
 Summary: PetThermoTools
 Home-page: https://github.com/gleesonm1/PetThermoTools
 Author: Matthew Gleeson

{PetThermoTools-0.2.43 → PetThermoTools-0.2.44}/src/PetThermoTools/Barom.py

@@ -223,6 +223,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
         index_out = np.array([], dtype=int)
 
         while len(index_out) < len(index_in):
+            Start = time.time()
             index = np.setdiff1d(index_in, index_out)
             groups = np.array_split(index, cores)
             non_empty_groups = [g for g in groups if g.size > 0]
@@ -242,10 +243,19 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
 
             for p, q, group in processes:
                 try:
-                    res = q.get(timeout=timeout)
+                    if time.time() - Start > timeout + 10:
+                        res = q.get(timeout = 10)
+                    else:
+                        res = q.get(timeout=timeout)
                 except:
+                    if "MELTS" not in Model:
+                        print(f"Timeout warning reached. Calculation P_bar = {P_bar[group[0]]} will not be returned. Try increasing the timeout.")
                     res = []
                     idx_chunks = np.array([group[0]], dtype = int)
+                    mask = np.ones(len(P_bar), dtype=bool)
+                    mask[idx_chunks] = False
+                    P_bar = P_bar[mask]
+
                 p.join(timeout = 2)
                 p.terminate()
 
@@ -290,7 +300,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
                         phases=phases,
                         melts = melts
                     )
-                results[f"index = {i}"] = Results
+                results[f"Run {i}"] = Results
                 combined_results.update(results)
         else:
             if fO2_offset is None:
@@ -307,7 +317,7 @@ def mineral_cosaturation(Model="MELTSv1.0.2", cores=int(np.floor(multiprocessing
                                         )
                 
                 Results = dict(Results_df)
-                results[f"index = {i}"] = Results
+                results[f"Run {i}"] = Results
                 combined_results.update(results)
 
     results = combined_results

{PetThermoTools-0.2.43 → PetThermoTools-0.2.44}/src/PetThermoTools/Melting.py

@@ -13,7 +13,7 @@ from tqdm.notebook import tqdm, trange
 
 def AdiabaticDecompressionMelting(cores = multiprocessing.cpu_count(), 
                                   Model = "pMELTS", bulk = "KLB-1", comp_lith_1 = None, 
-                                  comp_lith_2 = None, comp_lith_3 = None, Tp_C = 1350, Tp_Method = "pyMelt",
+                                  comp_lith_2 = None, comp_lith_3 = None, Tp_C = 1350, Tp_Method = None,
                                   P_start_bar = 30000, P_end_bar = 2000, dp_bar = 200, 
                                   P_path_bar = None, Frac = False, prop = None, 
                                   fO2_buffer = None, fO2_offset = None, Fe3Fet = None, MELTS_filter = True):
@@ -311,6 +311,17 @@ def AdiabaticMelt(q, index, *, Model = None, comp_1 = None, comp_2 = None, comp_
 
         from juliacall import Main as jl, convert as jlconvert
 
+        # import os, pathlib
+
+        # # 1. Where to install Julia + MAGEMin environment (user home dir, persistent)
+        # home = str(pathlib.Path.home())
+        # env_path = os.path.join(home, ".MAGEMinEnv")
+
+        # jl.seval(f"""
+        # import Pkg
+        # Pkg.activate("{env_path}")
+        # """)
+
         jl.seval("using MAGEMinCalc")
 
         comp_1['O'] = comp_1['Fe3Fet_Liq']*(((159.59/2)/71.844)*comp_1['FeOt_Liq'] - comp_1['FeOt_Liq'])
@@ -323,7 +334,8 @@ def AdiabaticMelt(q, index, *, Model = None, comp_1 = None, comp_2 = None, comp_
 
         Output_jl = jl.MAGEMinCalc.AdiabaticDecompressionMelting(comp = comp_julia, P_start_kbar = P_start_bar/1000.0, 
                                                               P_end_kbar = P_end_bar/1000.0, dp_kbar = dp_bar/1000.0,
-                                                              T_start_C = T_start_C, fo2_buffer = fO2_buffer, fo2_offset = fO2_offset, Model = Model)
+                                                              T_start_C = T_start_C, fo2_buffer = fO2_buffer, 
+                                                              fo2_offset = fO2_offset, Model = Model, Tp_C = Tp_C)
         Results = dict(Output_jl)
         # Results = stich(Results, Model = Model)
         

{PetThermoTools-0.2.43 → PetThermoTools-0.2.44}/src/PetThermoTools/Path.py

@@ -567,9 +567,11 @@ def path_multi(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_f
                 #                                 T_C = T_C[i], T_path_C = T_path_C[i], P_start_bar = P_start_bar[i], P_end_bar = P_end_bar[i],
                 #                                 dp_bar = dp_bar[i], P_bar = P_bar[i], P_path_bar = P_path_bar[i], frac_xtal = Frac_solid,
                 #                                 fo2_buffer = fO2_buffer, fo2_offset = fO2_offset[i], find_liquidus = find_liquidus)
-                
+
+                julia_Suppress = None                
                 if Suppress == ['rutile', 'tridymite']:
                     Suppress = None
+                    julia_Suppress = None
 
                 if Suppress is not None:
                     jl.Suppress = Suppress
@@ -772,8 +774,10 @@ def path(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_fluid =
         else:
             P_path_bar_julia = P_path_bar
 
+        julia_Suppress = None
         if Suppress == ['rutile', 'tridymite']:
             Suppress = None
+            julia_Suppress = None
 
         if Suppress is not None:
             jl.Suppress = Suppress

{PetThermoTools-0.2.43 → PetThermoTools-0.2.44}/src/PetThermoTools/_version.py

@@ -5,4 +5,4 @@
 # 1) we don't load dependencies by storing it in __init__.py
 # 2) we can import it in setup.py for the same reason
 # 3) we can import it into your module
-__version__ = '0.2.43'
+__version__ = '0.2.44'

{PetThermoTools-0.2.43 → PetThermoTools-0.2.44/src/PetThermoTools.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PetThermoTools
-Version: 0.2.43
+Version: 0.2.44
 Summary: PetThermoTools
 Home-page: https://github.com/gleesonm1/PetThermoTools
 Author: Matthew Gleeson