musica 0.12.0__cp311-cp311-win32.whl → 0.12.2__cp311-cp311-win32.whl

musica/test/{test_util_full_mechanism.py → unit/test_util_full_mechanism.py}

@@ -1,14 +1,13 @@
-from musica.mechanism_configuration import *
-from musica import _ReactionType
+import musica.mechanism_configuration as mc
 
 
 def get_fully_defined_mechanism():
     # Chemical species
-    A = Species(name="A", other_properties={"__absolute tolerance": "1.0e-30"})
-    B = Species(name="B", tracer_type="AEROSOL")
-    C = Species(name="C", tracer_type="THIRD_BODY")
-    M = Species(name="M")
-    H2O2 = Species(
+    A = mc.Species(name="A", other_properties={"__absolute tolerance": "1.0e-30"})
+    B = mc.Species(name="B", tracer_type="AEROSOL")
+    C = mc.Species(name="C", tracer_type="THIRD_BODY")
+    M = mc.Species(name="M")
+    H2O2 = mc.Species(
         name="H2O2",
         HLC_298K_mol_m3_Pa=1.011596348,
         HLC_exponential_factor_K=6340,
@@ -18,37 +17,37 @@ def get_fully_defined_mechanism():
         density_kg_m3=1000.0,
         other_properties={"__absolute tolerance": "1.0e-10"},
     )
-    ethanol = Species(
+    ethanol = mc.Species(
         name="ethanol",
         diffusion_coefficient_m2_s=0.95e-05,
         N_star=2.55,
         molecular_weight_kg_mol=0.04607,
         other_properties={"__absolute tolerance": "1.0e-20"},
     )
-    ethanol_aq = Species(
+    ethanol_aq = mc.Species(
         name="ethanol_aq",
         molecular_weight_kg_mol=0.04607,
         density_kg_m3=1000.0,
         other_properties={"__absolute tolerance": "1.0e-20"},
     )
-    H2O2_aq = Species(
+    H2O2_aq = mc.Species(
         name="H2O2_aq",
         molecular_weight_kg_mol=0.0340147,
         density_kg_m3=1000.0,
         other_properties={"__absolute tolerance": "1.0e-10"},
     )
-    H2O_aq = Species(
+    H2O_aq = mc.Species(
         name="H2O_aq",
         density_kg_m3=1000.0,
         molecular_weight_kg_mol=0.01801,
     )
-    aerosol_stuff = Species(
+    aerosol_stuff = mc.Species(
         name="aerosol stuff",
         molecular_weight_kg_mol=0.5,
         density_kg_m3=1000.0,
         other_properties={"__absolute tolerance": "1.0e-20"},
     )
-    more_aerosol_stuff = Species(
+    more_aerosol_stuff = mc.Species(
         name="more aerosol stuff",
         molecular_weight_kg_mol=0.2,
         density_kg_m3=1000.0,
@@ -56,29 +55,29 @@ def get_fully_defined_mechanism():
     )
 
     # Chemical phases
-    gas = Phase(name="gas", species=[A, B, C, ethanol])
-    aqueous_aerosol = Phase(
+    gas = mc.Phase(name="gas", species=[A, B, C, ethanol])
+    aqueous_aerosol = mc.Phase(
         name="aqueous aerosol",
         species=[H2O2_aq, H2O_aq, ethanol_aq, A, B, C],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
-    surface_reacting_phase = Phase(
+    surface_reacting_phase = mc.Phase(
         name="surface reacting phase",
         species=[aerosol_stuff, more_aerosol_stuff]
     )
-    cloud = Phase(name="cloud", species=[B, C])
+    cloud = mc.Phase(name="cloud", species=[B, C])
 
     # Reactions
-    my_arrhenius = Arrhenius(
+    my_arrhenius = mc.Arrhenius(
         name="my arrhenius",
         A=32.1, B=-2.3, C=102.3, D=63.4, E=-1.3,
         gas_phase=gas,
         reactants=[B],
         products=[C],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_other_arrhenius = Arrhenius(
+    my_other_arrhenius = mc.Arrhenius(
         name="my other arrhenius",
         A=29.3, B=-1.5, Ea=101.2, D=82.6, E=-0.98,
         gas_phase=gas,
@@ -86,10 +85,9 @@ def get_fully_defined_mechanism():
         products=[(1.2, B)]
     )
 
-    my_condensed_arrhenius = CondensedPhaseArrhenius(
+    my_condensed_arrhenius = mc.CondensedPhaseArrhenius(
         name="my condensed arrhenius",
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_water=H2O_aq,
+        condensed_phase=aqueous_aerosol,
         A=123.45,
         B=1.3,
         Ea=123.45,
@@ -97,13 +95,12 @@ def get_fully_defined_mechanism():
         E=0.6e-5,
         reactants=[H2O2_aq, H2O_aq],
         products=[ethanol_aq],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_other_condensed_arrhenius = CondensedPhaseArrhenius(
+    my_other_condensed_arrhenius = mc.CondensedPhaseArrhenius(
         name="my other condensed arrhenius",
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_water=H2O_aq,
+        condensed_phase=aqueous_aerosol,
         A=123.45,
         B=1.3,
         C=123.45,
@@ -113,7 +110,7 @@ def get_fully_defined_mechanism():
         products=[ethanol_aq]
     )
 
-    my_troe = Troe(
+    my_troe = mc.Troe(
         name="my troe",
         gas_phase=gas,
         k0_A=1.2e-12,
@@ -126,10 +123,26 @@ def get_fully_defined_mechanism():
         N=0.8,
         reactants=[B, M],
         products=[C],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_branched = Branched(
+    my_ternary = mc.TernaryChemicalActivation(
+        name="my ternary chemical activation",
+        gas_phase=gas,
+        k0_A=32.1,
+        k0_B=-2.3,
+        k0_C=102.3,
+        kinf_A=63.4,
+        kinf_B=-1.3,
+        kinf_C=908.5,
+        Fc=1.3,
+        N=32.1,
+        reactants=[B, M],
+        products=[C],
+        other_properties={"__irrelevant": "2"},
+    )
+
+    my_branched = mc.Branched(
         name="my branched",
         gas_phase=gas,
         reactants=[A],
@@ -139,10 +152,10 @@ def get_fully_defined_mechanism():
         Y=167,
         a0=0.15,
         n=9,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_tunneling = Tunneling(
+    my_tunneling = mc.Tunneling(
         name="my tunneling",
         gas_phase=gas,
         reactants=[B],
@@ -150,115 +163,104 @@ def get_fully_defined_mechanism():
         A=123.45,
         B=1200.0,
         C=1.0e8,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_surface = Surface(
+    my_surface = mc.Surface(
         name="my surface",
         gas_phase=gas,
         gas_phase_species=A,
         reaction_probability=2.0e-2,
         gas_phase_products=[B, C],
-        aerosol_phase=surface_reacting_phase,
-        other_properties = {"__irrelevant": "2"},
+        condensed_phase=surface_reacting_phase,
+        other_properties={"__irrelevant": "2"},
     )
 
-    photo_B = Photolysis(
+    photo_B = mc.Photolysis(
         name="photo B",
         gas_phase=gas,
         reactants=[B],
         products=[C],
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    condensed_photo_B = CondensedPhasePhotolysis(
+    condensed_photo_B = mc.CondensedPhasePhotolysis(
         name="condensed photo B",
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_water=H2O_aq,
+        condensed_phase=aqueous_aerosol,
         reactants=[H2O2_aq],
         products=[ethanol_aq],
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_emission = Emission(
+    my_emission = mc.Emission(
         name="my emission",
         gas_phase=gas,
         products=[B],
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_first_order_loss = FirstOrderLoss(
+    my_first_order_loss = mc.FirstOrderLoss(
         name="my first order loss",
         gas_phase=gas,
         reactants=[C],
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_aqueous_equilibrium = AqueousEquilibrium(
+    my_aqueous_equilibrium = mc.AqueousEquilibrium(
         name="my aqueous eq",
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_water=H2O_aq,
+        condensed_phase=aqueous_aerosol,
+        condensed_phase_water=H2O_aq,
         A=1.14e-2,
         C=2300.0,
         k_reverse=0.32,
         reactants=[(2, A)],
         products=[B, C],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_wet_deposition = WetDeposition(
+    my_wet_deposition = mc.WetDeposition(
         name="rxn cloud",
-        aerosol_phase=cloud,
+        condensed_phase=cloud,
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    my_henrys_law = HenrysLaw(
-        name="my henry's law",
-        gas_phase=gas,
-        gas_phase_species=H2O2,
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_species=H2O2_aq,
-        aerosol_phase_water=H2O_aq,
-        other_properties = {"__irrelevant": "2"},
-    )
-
-    my_simpol_phase_transfer = SimpolPhaseTransfer(
+    my_simpol_phase_transfer = mc.SimpolPhaseTransfer(
         name="my simpol",
         gas_phase=gas,
         gas_phase_species=ethanol,
-        aerosol_phase=aqueous_aerosol,
-        aerosol_phase_species=ethanol_aq,
+        condensed_phase=aqueous_aerosol,
+        condensed_phase_species=ethanol_aq,
         B=[-1.97e03, 2.91e00, 1.96e-03, -4.96e-01],
-        other_properties = {"__irrelevant": "2"},
+        other_properties={"__irrelevant": "2"},
     )
 
-    user_defined = UserDefined(
+    user_defined = mc.UserDefined(
         name="my user defined",
         gas_phase=gas,
         reactants=[A, B],
         products=[(1.3, C)],
         scaling_factor=12.3,
-        other_properties = {"__irrelevant": "2"}
+        other_properties={"__irrelevant": "2"}
     )
 
     # Mechanism
-    return Mechanism(
+    return mc.Mechanism(
         name="Full Configuration",
         species=[A, B, C, M, H2O2, ethanol, ethanol_aq, H2O2_aq, H2O_aq,
-                    aerosol_stuff, more_aerosol_stuff],
+                 aerosol_stuff, more_aerosol_stuff],
         phases=[gas, aqueous_aerosol, surface_reacting_phase, cloud],
         reactions=[my_arrhenius, my_other_arrhenius, my_condensed_arrhenius,
-                    my_other_condensed_arrhenius, my_troe, my_branched,
-                    my_tunneling, my_surface, photo_B, condensed_photo_B,
-                    my_emission, my_first_order_loss, my_aqueous_equilibrium,
-                    my_wet_deposition, my_henrys_law, my_simpol_phase_transfer,
-                    user_defined],
-        version=Version(1, 0, 0),
+                   my_other_condensed_arrhenius, my_troe, my_ternary, my_branched,
+                   my_tunneling, my_surface, photo_B, condensed_photo_B,
+                   my_emission, my_first_order_loss, my_aqueous_equilibrium,
+                   my_wet_deposition, my_simpol_phase_transfer,
+                   user_defined],
+        version=mc.Version(1, 0, 0),
     )
 
 
@@ -369,8 +371,9 @@ def _extract_components(components):
         for component in components
     ]
 
+
 def _validate_arrhenius(reactions):
-    assert reactions[0].type == ReactionType.Arrhenius
+    assert reactions[0].type == mc.ReactionType.Arrhenius
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "B", "coefficient": 1}
     ]
@@ -384,7 +387,7 @@ def _validate_arrhenius(reactions):
     assert reactions[0].E == -1.3
     assert reactions[0].name == "my arrhenius"
     assert reactions[0].other_properties == {"__irrelevant": "2"}
-    assert reactions[1].type == ReactionType.Arrhenius
+    assert reactions[1].type == mc.ReactionType.Arrhenius
     assert _extract_components(reactions[1].reactants) == [
         {"species name": "A", "coefficient": 1}
     ]
@@ -400,29 +403,14 @@ def _validate_arrhenius(reactions):
     assert reactions[1].other_properties == {}
 
 
-def _validate_henrys_law(reactions):
-    assert reactions[0].type == ReactionType.HenrysLaw
-    assert reactions[0].gas_phase == "gas"
-    assert _extract_components([reactions[0].gas_phase_species]) == [
-        {"species name": "H2O2", "coefficient": 1}
-    ]
-    assert reactions[0].aerosol_phase == "aqueous aerosol"
-    assert _extract_components([reactions[0].aerosol_phase_species]) == [
-        {"species name": "H2O2_aq", "coefficient": 1}
-    ]
-    assert reactions[0].aerosol_phase_water == "H2O_aq"
-    assert reactions[0].name == "my henry's law"
-    assert reactions[0].other_properties == {"__irrelevant": "2"}
-
-
 def _validate_simpol_phase_transfer(reactions):
-    assert reactions[0].type == ReactionType.SimpolPhaseTransfer
+    assert reactions[0].type == mc.ReactionType.SimpolPhaseTransfer
     assert reactions[0].gas_phase == "gas"
     assert _extract_components([reactions[0].gas_phase_species]) == [
         {"species name": "ethanol", "coefficient": 1}
     ]
-    assert reactions[0].aerosol_phase == "aqueous aerosol"
-    assert _extract_components([reactions[0].aerosol_phase_species]) == [
+    assert reactions[0].condensed_phase == "aqueous aerosol"
+    assert _extract_components([reactions[0].condensed_phase_species]) == [
         {"species name": "ethanol_aq", "coefficient": 1}
     ]
     assert reactions[0].B == [-1.97e03, 2.91e00, 1.96e-03, -4.96e-01]
@@ -431,9 +419,9 @@ def _validate_simpol_phase_transfer(reactions):
 
 
 def _validate_aqueous_equilibrium(reactions):
-    assert reactions[0].type == ReactionType.AqueousEquilibrium
-    assert reactions[0].aerosol_phase == "aqueous aerosol"
-    assert reactions[0].aerosol_phase_water == "H2O_aq"
+    assert reactions[0].type == mc.ReactionType.AqueousEquilibrium
+    assert reactions[0].condensed_phase == "aqueous aerosol"
+    assert reactions[0].condensed_phase_water == "H2O_aq"
     assert reactions[0].A == 1.14e-2
     assert reactions[0].C == 2300.0
     assert reactions[0].k_reverse == 0.32
@@ -450,9 +438,8 @@ def _validate_aqueous_equilibrium(reactions):
 
 def _validate_condensed_phase_arrhenius(reactions):
     for reaction in reactions:
-        assert reaction.type == ReactionType.CondensedPhaseArrhenius
-        assert reaction.aerosol_phase == "aqueous aerosol"
-        assert reaction.aerosol_phase_water == "H2O_aq"
+        assert reaction.type == mc.ReactionType.CondensedPhaseArrhenius
+        assert reaction.condensed_phase == "aqueous aerosol"
         assert reaction.A == 123.45
         assert reaction.B == 1.3
         assert reaction.D == 300.0
@@ -472,9 +459,8 @@ def _validate_condensed_phase_arrhenius(reactions):
 
 
 def _validate_condensed_phase_photolysis(reactions):
-    assert reactions[0].type == ReactionType.CondensedPhasePhotolysis
-    assert reactions[0].aerosol_phase == "aqueous aerosol"
-    assert reactions[0].aerosol_phase_water == "H2O_aq"
+    assert reactions[0].type == mc.ReactionType.CondensedPhasePhotolysis
+    assert reactions[0].condensed_phase == "aqueous aerosol"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "H2O2_aq", "coefficient": 1}
     ]
@@ -487,7 +473,7 @@ def _validate_condensed_phase_photolysis(reactions):
 
 
 def _validate_emission(reactions):
-    assert reactions[0].type == ReactionType.Emission
+    assert reactions[0].type == mc.ReactionType.Emission
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].products) == [
         {"species name": "B", "coefficient": 1}
@@ -498,7 +484,7 @@ def _validate_emission(reactions):
 
 
 def _validate_first_order_loss(reactions):
-    assert reactions[0].type == ReactionType.FirstOrderLoss
+    assert reactions[0].type == mc.ReactionType.FirstOrderLoss
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "C", "coefficient": 1}
@@ -509,7 +495,7 @@ def _validate_first_order_loss(reactions):
 
 
 def _validate_photolysis(reactions):
-    assert reactions[0].type == ReactionType.Photolysis
+    assert reactions[0].type == mc.ReactionType.Photolysis
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "B", "coefficient": 1}
@@ -523,7 +509,7 @@ def _validate_photolysis(reactions):
 
 
 def _validate_surface(reactions):
-    assert reactions[0].type == ReactionType.Surface
+    assert reactions[0].type == mc.ReactionType.Surface
     assert reactions[0].gas_phase == "gas"
     assert _extract_components([reactions[0].gas_phase_species]) == [
         {"species name": "A", "coefficient": 1}
@@ -533,13 +519,13 @@ def _validate_surface(reactions):
         {"species name": "B", "coefficient": 1},
         {"species name": "C", "coefficient": 1},
     ]
-    assert reactions[0].aerosol_phase == "surface reacting phase"
+    assert reactions[0].condensed_phase == "surface reacting phase"
     assert reactions[0].name == "my surface"
     assert reactions[0].other_properties == {"__irrelevant": "2"}
 
 
 def _validate_troe(reactions):
-    assert reactions[0].type == ReactionType.Troe
+    assert reactions[0].type == mc.ReactionType.Troe
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "B", "coefficient": 1},
@@ -560,8 +546,52 @@ def _validate_troe(reactions):
     assert reactions[0].other_properties == {"__irrelevant": "2"}
 
 
+def _validate_ternary_chemical_activation(reactions):
+    assert reactions[0].type == mc.ReactionType.TernaryChemicalActivation
+    assert reactions[0].gas_phase == "gas"
+    assert _extract_components(reactions[0].reactants) == [
+        {"species name": "B", "coefficient": 1},
+        {"species name": "M", "coefficient": 1},
+    ]
+    assert _extract_components(reactions[0].products) == [
+        {"species name": "C", "coefficient": 1}
+    ]
+    assert reactions[0].k0_A == 32.1
+    assert reactions[0].k0_B == -2.3
+    assert reactions[0].k0_C == 102.3
+    assert reactions[0].kinf_A == 63.4
+    assert reactions[0].kinf_B == -1.3
+    assert reactions[0].kinf_C == 908.5
+    assert reactions[0].Fc == 1.3
+    assert reactions[0].N == 32.1
+    assert reactions[0].name == "my ternary chemical activation"
+    assert reactions[0].other_properties == {"__irrelevant": "2"}
+
+
+def _validate_ternary_chemical_activation(reactions):
+    assert reactions[0].type == mc.ReactionType.TernaryChemicalActivation
+    assert reactions[0].gas_phase == "gas"
+    assert _extract_components(reactions[0].reactants) == [
+        {"species name": "B", "coefficient": 1},
+        {"species name": "M", "coefficient": 1},
+    ]
+    assert _extract_components(reactions[0].products) == [
+        {"species name": "C", "coefficient": 1}
+    ]
+    assert reactions[0].k0_A == 32.1
+    assert reactions[0].k0_B == -2.3
+    assert reactions[0].k0_C == 102.3
+    assert reactions[0].kinf_A == 63.4
+    assert reactions[0].kinf_B == -1.3
+    assert reactions[0].kinf_C == 908.5
+    assert reactions[0].Fc == 1.3
+    assert reactions[0].N == 32.1
+    assert reactions[0].name == "my ternary chemical activation"
+    assert reactions[0].other_properties == {"__irrelevant": "2"}
+
+
 def _validate_branched_no_ro2(reactions):
-    assert reactions[0].type == ReactionType.Branched
+    assert reactions[0].type == mc.ReactionType.Branched
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "A", "coefficient": 1}
@@ -581,7 +611,7 @@ def _validate_branched_no_ro2(reactions):
 
 
 def _validate_tunneling(reactions):
-    assert reactions[0].type == ReactionType.Tunneling
+    assert reactions[0].type == mc.ReactionType.Tunneling
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "B", "coefficient": 1}
@@ -597,15 +627,15 @@ def _validate_tunneling(reactions):
 
 
 def _validate_wet_deposition(reactions):
-    assert reactions[0].type == ReactionType.WetDeposition
+    assert reactions[0].type == mc.ReactionType.WetDeposition
     assert reactions[0].name == "rxn cloud"
-    assert reactions[0].aerosol_phase == "cloud"
+    assert reactions[0].condensed_phase == "cloud"
     assert reactions[0].scaling_factor == 12.3
     assert reactions[0].other_properties == {"__irrelevant": "2"}
 
 
 def _validate_user_defined(reactions):
-    assert reactions[0].type == ReactionType.UserDefined
+    assert reactions[0].type == mc.ReactionType.UserDefined
     assert reactions[0].gas_phase == "gas"
     assert _extract_components(reactions[0].reactants) == [
         {"species name": "A", "coefficient": 1},
@@ -643,8 +673,6 @@ def validate_full_v1_mechanism(mechanism):
     _validate_emission(mechanism.reactions.emission)
     assert len(mechanism.reactions.first_order_loss) == 1
     _validate_first_order_loss(mechanism.reactions.first_order_loss)
-    assert len(mechanism.reactions.henrys_law) == 1
-    _validate_henrys_law(mechanism.reactions.henrys_law)
     assert len(mechanism.reactions.photolysis) == 1
     _validate_photolysis(mechanism.reactions.photolysis)
     assert len(mechanism.reactions.simpol_phase_transfer) == 1
@@ -653,6 +681,8 @@ def validate_full_v1_mechanism(mechanism):
     _validate_surface(mechanism.reactions.surface)
     assert len(mechanism.reactions.troe) == 1
     _validate_troe(mechanism.reactions.troe)
+    assert len(mechanism.reactions.ternary_chemical_activation) == 1
+    _validate_ternary_chemical_activation(mechanism.reactions.ternary_chemical_activation)
     assert len(mechanism.reactions.tunneling) == 1
     _validate_tunneling(mechanism.reactions.tunneling)
     assert len(mechanism.reactions.wet_deposition) == 1
@@ -662,7 +692,7 @@ def validate_full_v1_mechanism(mechanism):
     assert mechanism.version.major == 1
     assert mechanism.version.minor == 0
     assert mechanism.version.patch == 0
-    assert len(mechanism.reactions) == 17
+    assert len(mechanism.reactions) == 16
     for reaction in mechanism.reactions:
         assert reaction is not None
-        assert isinstance(reaction.type, _ReactionType)
+        assert isinstance(reaction.type, mc.ReactionType)

musica/tools/prepare_build_environment_linux.sh

@@ -1,43 +1,32 @@
-#! /bin/bash
-
+#!/bin/bash
 set -e
 set -x
 
-# Update the mirror list to use vault.centos.org
-sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
-sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
-sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
-
-sed -i 's/mirrorlist/#mirrorlist/g' /etc/yum.repos.d/CentOS-*
-sed -i 's|#baseurl=http://mirror.centos.org|baseurl=http://vault.centos.org|g' /etc/yum.repos.d/CentOS-*
+target_arch="$(uname -m)"
+echo "Detected target_arch: $target_arch"
 
-yum install -y zip tree wget
+dnf -y update
 
-# Use CIBW_ARCHS or CIBW_ARCH if set, else fallback to uname -m
-if [ -n "$CIBW_ARCHS" ]; then
-  target_arch="$CIBW_ARCHS"
-elif [ -n "$CIBW_ARCH" ]; then
-  target_arch="$CIBW_ARCH"
-else
-  target_arch="$(uname -m)"
+# For 64 bit systems can enable our fortran components, but we require netcdf
+if [[ "$target_arch" == "x86_64" || "$target_arch" == "aarch64" ]]; then
+  dnf install -y epel-release
+  dnf install -y netcdf-devel netcdf-fortran-devel
 fi
 
-echo "Detected target_arch: $target_arch"
+dnf install -y tree wget zip lapack-devel
 
+# 64 bit intel and amd systems support building cuda
 if [ "$target_arch" = "x86_64" ]; then
-  # Install CUDA 12.2 for x86_64:
-  yum-config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/cuda-rhel8.repo
-  # error mirrorlist.centos.org doesn't exists anymore.
-  sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
-  sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
-  sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
-  yum install --setopt=obsoletes=0 -y \
-      cuda-nvcc-12-2 \
-      cuda-cudart-devel-12-2 \
-      libcurand-devel-12-2 \
-      libcublas-devel-12-2 
-  ln -s cuda-12.2 /usr/local/cuda
-
-  # list the installed CUDA packages
-  tree -L 4 /usr/local/cuda-12.2
-fi
+  # Install CUDA 12.8 for x86_64 on AlmaLinux 8 (manylinux_2_28) - supports GCC 14
+  dnf config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/cuda-rhel8.repo
+  dnf install --setopt=obsoletes=0 -y \
+      cuda-nvcc-12-8 \
+      cuda-cudart-devel-12-8 \
+      libcurand-devel-12-8 \
+      libcublas-devel-12-8 
+  ln -sf cuda-12.8 /usr/local/cuda
+
+  # Verify CUDA installation
+  echo "=== CUDA Installation Verification ==="
+  /usr/local/cuda/bin/nvcc --version
+fi

musica/tools/prepare_build_environment_macos.sh

@@ -0,0 +1 @@
+brew install netcdf netcdf-fortran lapack