PetThermoTools 0.2.42__py3-none-any.whl → 0.2.44__py3-none-any.whl

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/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/Path.py

@@ -491,9 +491,22 @@ def path_multi(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_f
         elif Model == "MELTSv1.2.0":
             melts = MELTSdynamic(4)
     else:
-        from juliacall import Main as jl, convert as jlconvert
+        from juliacall import Main as jl
+
+        # 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")
+
+        
   
     for i in index:
         try:
@@ -554,12 +567,24 @@ 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
+                    jl.seval("Suppress = Vector{String}(Suppress)")
+                    julia_Suppress = jl.Suppress
+
+
                 Results_df = jl.MAGEMinCalc.path(
                                     comp=comp_julia, T_start_C=T_start_C[i], T_end_C=T_end_C[i], dt_C=dt_C[i],
                                     T_C=T_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], T_path_C=T_path_C[i], P_path_bar=P_path_bar[i], frac_xtal=Frac_solid,
-                                    Model=Model, fo2_buffer=fO2_buffer, fo2_offset=fO2_offset[i], find_liquidus=find_liquidus
+                                    Model=Model, fo2_buffer=fO2_buffer, fo2_offset=fO2_offset[i], find_liquidus=find_liquidus,
+                                    suppress = julia_Suppress
                                 )
                 
                 Results = dict(Results_df)
@@ -721,6 +746,16 @@ def path(q, index, *, Model = None, comp = None, Frac_solid = None, Frac_fluid =
 
         # import julia
         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")
 
@@ -739,11 +774,23 @@ 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
+            jl.seval("Suppress = Vector{String}(Suppress)")
+            julia_Suppress = jl.Suppress
+
+
         Results = jl.MAGEMinCalc.path(
             comp=comp_julia, T_start_C=T_start_C, T_end_C=T_end_C, dt_C=dt_C,
             T_C=T_C, P_start_bar=P_start_bar, P_end_bar=P_end_bar, dp_bar=dp_bar,
             P_bar=P_bar, T_path_C=T_path_C_julia, P_path_bar=P_path_bar_julia, frac_xtal=Frac_solid,
-            Model=Model, fo2_buffer=fO2_buffer, fo2_offset=fO2_offset, find_liquidus=find_liquidus
+            Model=Model, fo2_buffer=fO2_buffer, fo2_offset=fO2_offset, find_liquidus=find_liquidus,
+            suppress = julia_Suppress
         )
         # Results = jl.pyconvert(dict, Results)
         Results_df = dict(Results)

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__ = '0.2.42'
+__version__ = '0.2.44'

{PetThermoTools-0.2.42.dist-info → PetThermoTools-0.2.44.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PetThermoTools
-Version: 0.2.42
+Version: 0.2.44
 Summary: PetThermoTools
 Home-page: https://github.com/gleesonm1/PetThermoTools
 Author: Matthew Gleeson
@@ -16,7 +16,6 @@ Requires-Dist: numpy
 Requires-Dist: matplotlib
 Requires-Dist: scikit-learn
 Requires-Dist: scipy
-Requires-Dist: julia
 Requires-Dist: tinynumpy
 Requires-Dist: shapely
 Requires-Dist: Thermobar

{PetThermoTools-0.2.42.dist-info → PetThermoTools-0.2.44.dist-info}/RECORD

@@ -1,20 +1,20 @@
-PetThermoTools/Barom.py,sha256=HKd1TTHHl0FnM_SGb0qC7KqH7rybyVixVMH7Wph-nk8,46613
+PetThermoTools/Barom.py,sha256=6LObqDzICfgBTH3ki9mt8yd-2EgTZIAO55p5BwfiBBk,47113
 PetThermoTools/Compositions.py,sha256=65NzfduzWdfHJ8VmHBN1Cv7fMz7kF3QbDVLei-e4v00,1483
 PetThermoTools/GenFuncs.py,sha256=oMV3FYIpfHNpGZloN5a6Vr8Sv_5IRsKt4hHIUNbDu24,19996
 PetThermoTools/Holland.py,sha256=udBFeVUyTBpSfLIhx7Hy6o0I8ApNCDvwU_gZa0diY5w,7251
 PetThermoTools/Installation.py,sha256=UfVOW1NZFdzMWPyID5u7t0KwvpJA0AqYohzidXIAwYs,6098
 PetThermoTools/Liq.py,sha256=4tOnVROXr7V6cfvZceKidFT9J20TZE3Om2oem92QC4s,36842
 PetThermoTools/MELTS.py,sha256=2WB4Y11i7yfTM5dRjEr-KrJY2_7f1kLaW4V0di6Qnew,76511
-PetThermoTools/Melting.py,sha256=D4mXTrKkoUPK8dAuHPQRAnK79owI23W7JBmUMvm1DVU,15332
-PetThermoTools/Path.py,sha256=jUAVvKSDuVSYRiIZbL1J21E8X4Loc2xCkRTYyl4PzG4,38179
+PetThermoTools/Melting.py,sha256=19rFcTegaB04Dx3bsclbLdjzlegJHGlMRn2QnccLqQw,15718
+PetThermoTools/Path.py,sha256=MOQMN9jIBbSsqXD1BCHsWoMPOWphqCYCKQvmm88mltA,39580
 PetThermoTools/Path_wrappers.py,sha256=gUxs_4Qbk4MLlLl4iySxfbfKU34588bIJAYyhHmhFdc,30177
 PetThermoTools/PhaseDiagrams.py,sha256=sjjX84LK34m_OjsKCV78zpzRDAXG7oaLu_Z5BxwB_3I,30298
 PetThermoTools/Plotting.py,sha256=KxBNT2nqqrVn9dsAIjGk1hMUVRq7r-WrG_b9quNcRMo,37295
 PetThermoTools/Saturation.py,sha256=3liK4WDVtl5DWpMpE_tQ_fONBCZTctkiNeCXCuNmXoM,29961
 PetThermoTools/__init__.py,sha256=PbiwQj_mNNEwuIZOLETmtMMshiXa50wjCA6mfvpOpOs,2393
-PetThermoTools/_version.py,sha256=gEQfVmDQZosUq8hqgOF7-NXfujY6yVc6ya0YiW2W8ZM,296
-PetThermoTools-0.2.42.dist-info/LICENSE.txt,sha256=-mkx4iEw8Pk1RZUvncBhGLW87Uur5JB7FBQtOmX-VP0,1752
-PetThermoTools-0.2.42.dist-info/METADATA,sha256=yUKuTP6xbaOHpYQ3g4D5T5qA5XyqfsB0Gs1aBTJF0YA,794
-PetThermoTools-0.2.42.dist-info/WHEEL,sha256=tZoeGjtWxWRfdplE7E3d45VPlLNQnvbKiYnx7gwAy8A,92
-PetThermoTools-0.2.42.dist-info/top_level.txt,sha256=IqK8iYBR3YJozzMOTRZ8x8mU2k6x8ycoMBxZTm-I06U,15
-PetThermoTools-0.2.42.dist-info/RECORD,,
+PetThermoTools/_version.py,sha256=YefFKNLbTovWyfWUHpACuEmBVwW4nY9fuZlPRNDqNDY,296
+PetThermoTools-0.2.44.dist-info/LICENSE.txt,sha256=-mkx4iEw8Pk1RZUvncBhGLW87Uur5JB7FBQtOmX-VP0,1752
+PetThermoTools-0.2.44.dist-info/METADATA,sha256=ppYpb851WSgn43kuz_O2fMQLSs1IuFwwlJXq5onq4Nk,773
+PetThermoTools-0.2.44.dist-info/WHEEL,sha256=tZoeGjtWxWRfdplE7E3d45VPlLNQnvbKiYnx7gwAy8A,92
+PetThermoTools-0.2.44.dist-info/top_level.txt,sha256=IqK8iYBR3YJozzMOTRZ8x8mU2k6x8ycoMBxZTm-I06U,15
+PetThermoTools-0.2.44.dist-info/RECORD,,