Add the creation of a TUV-x photolysis calculator to the MUSICA wrapper

musica/micm/musica_ccpp_micm.F90

@@ -1,7 +1,7 @@
 module musica_ccpp_micm
   use iso_c_binding
 
-  ! Note: "micm_core" is included in an external pre-built MICM library that the host
+  ! Note: "micm_t" is included in an external pre-built MICM library that the host
   ! model is responsible for linking to during compilation
   use musica_micm, only: micm_t
   use musica_ccpp_util, only: has_error_occurred
@@ -20,21 +20,27 @@ module musica_ccpp_micm
   !> Register MICM constituents with the CCPP
   subroutine micm_register(constituents, errmsg, errcode)
     use ccpp_constituent_prop_mod, only: ccpp_constituent_properties_t
-    use musica_util, only: error_t, mapping_t
-    type(ccpp_constituent_properties_t), allocatable, intent(out)   :: constituents(:)
-    character(len=512), intent(out) :: errmsg
-    integer, intent(out)            :: errcode
+    use musica_micm, only: Rosenbrock, RosenbrockStandardOrder
+    use musica_util, only: error_t
+
+    type(ccpp_constituent_properties_t), allocatable, intent(out) :: constituents(:)
+    character(len=512),                               intent(out) :: errmsg
+    integer,                                          intent(out) :: errcode
 
-    type(error_t) :: error
-    type(mapping_t) :: mapping
+    ! local variables
+    type(error_t)        :: error
     real(kind=kind_phys) :: molar_mass
-    logical :: is_advected
-    integer :: i
+    logical              :: is_advected
+    integer              :: solver_type
+    integer              :: num_grid_cells
+    integer              :: i
 
+    solver_type = Rosenbrock
+    num_grid_cells = 1
     errcode = 0
     errmsg = ''
 
-    micm => micm_t(filename_of_micm_configuration, error)
+    micm => micm_t(filename_of_micm_configuration, solver_type, num_grid_cells, error)
     if (has_error_occurred(error, errmsg, errcode)) return
 
     allocate(constituents(size(micm%species_ordering)), stat=errcode)
@@ -85,7 +91,8 @@ end subroutine micm_init
   subroutine micm_run(time_step, temperature, pressure, dry_air_density, constituent_props, &
                       constituents, errmsg, errcode)
     use ccpp_constituent_prop_mod, only: ccpp_constituent_prop_ptr_t
-    use musica_util, only: error_t
+    use musica_micm, only: solver_stats_t
+    use musica_util, only: string_t, error_t
 
     real(kind_phys),                   intent(in)    :: time_step            ! s
     real(kind_phys),                   intent(in)    :: temperature(:,:)     ! K
@@ -98,22 +105,23 @@ subroutine micm_run(time_step, temperature, pressure, dry_air_density, constitue
 
     ! local variables
     real(c_double)                                         :: c_time_step
-    real(c_double), dimension(size(temperature, dim=1), &
+    real(c_double), dimension(size(temperature, dim=1),  &
                               size(temperature, dim=2))    :: c_temperature
-    real(c_double), dimension(size(pressure, dim=1), &
+    real(c_double), dimension(size(pressure, dim=1),     &
                               size(pressure, dim=2))       :: c_pressure
     real(c_double), dimension(size(constituents, dim=1), &
                               size(constituents, dim=2), &
                               size(constituents, dim=3))   :: c_constituents
     real(c_double), dimension(size(constituents, dim=1), &
                               size(constituents, dim=2), &
                               0)                           :: c_rate_params
-
     real(kind_phys), dimension(size(constituents, dim=3))  :: molar_mass_arr ! kg mol-1
-    type(error_t) :: error
 
-    integer :: num_columns, num_layers, num_constituents
-    integer :: i_column, i_layer, i_elem
+    type(string_t)       :: solver_state
+    type(solver_stats_t) :: solver_stats
+    type(error_t)        :: error
+    integer              :: num_columns, num_layers, num_constituents
+    integer              :: i_column, i_layer, i_elem
 
     num_columns = size(constituents, dim=1)
     num_layers = size(constituents, dim=2)
@@ -149,15 +157,22 @@ subroutine micm_run(time_step, temperature, pressure, dry_air_density, constitue
     c_temperature = real(temperature, c_double)
     c_pressure = real(pressure, c_double)
     c_constituents = real(constituents, c_double)
-
-    do i_column = 1, num_columns
+    ! c_constitnudents_()
+    ! do i_column = 1, num_columns
       do i_layer = 1, num_layers
-        call micm%solve(c_temperature(i_column, i_layer), c_pressure(i_column, i_layer), &
-                        c_time_step, num_constituents, c_constituents(i_column, i_layer, :), &
-                        0, c_rate_params(i_column, i_layer, :), error)
+
+        call micm%solve(c_time_step,                          &
+                        c_temperature(:,  i_layer),     &
+                        c_pressure(:, i_layer),        &
+                        dry_air_density(:, i_layer),   & 
+                        c_constituents(1, i_layer, :), &  !TODO(jiwon)
+                        c_rate_params(1, i_layer, :),  &
+                        solver_state,                         &
+                        solver_stats,                         &
+                        error)
         if (has_error_occurred(error, errmsg, errcode)) return
       end do
-    end do
+    ! end do
 
     constituents = real(c_constituents, kind_phys)
 

musica/musica_ccpp.F90

@@ -1,6 +1,7 @@
 !> Top-level wrapper for MUSICA chemistry components
 module musica_ccpp
   use musica_ccpp_micm, only : micm_register, micm_init, micm_run, micm_final
+  use musica_ccpp_tuvx, only : tuvx_init, tuvx_run, tuvx_final
 
   implicit none
   private
@@ -12,8 +13,8 @@ module musica_ccpp
   subroutine musica_ccpp_register(constituents, errmsg, errcode)
     use ccpp_constituent_prop_mod, only : ccpp_constituent_properties_t
     type(ccpp_constituent_properties_t), allocatable, intent(out) :: constituents(:)
-    character(len=512), intent(out) :: errmsg
-    integer, intent(out) :: errcode
+    character(len=512),                               intent(out) :: errmsg
+    integer,                                          intent(out) :: errcode
 
     call micm_register(constituents, errmsg, errcode)
   end subroutine musica_ccpp_register
@@ -22,27 +23,30 @@ end subroutine musica_ccpp_register
   !! \htmlinclude musica_ccpp_init.html
   subroutine musica_ccpp_init(errmsg, errcode)
     character(len=512), intent(out) :: errmsg
-    integer, intent(out) :: errcode
+    integer,            intent(out) :: errcode
 
+    call tuvx_init(errmsg, errcode)
     call micm_init(errmsg, errcode)
   end subroutine musica_ccpp_init
 
   !> \section arg_table_musica_ccpp_run Argument Table
   !! \htmlinclude musica_ccpp_run.html
   subroutine musica_ccpp_run(time_step, temperature, pressure, dry_air_density, constituent_props, &
-                      constituents, errmsg, errcode)
+                      constituents, height, errmsg, errcode)
     use ccpp_kinds, only: kind_phys
     use ccpp_constituent_prop_mod, only: ccpp_constituent_prop_ptr_t
 
-    real(kind_phys),                   intent(in)    :: time_step            ! s
-    real(kind_phys),                   intent(in)    :: temperature(:,:)     ! K
-    real(kind_phys),                   intent(in)    :: pressure(:,:)        ! Pa
-    real(kind_phys),                   intent(in)    :: dry_air_density(:,:) ! kg m-3
+    real(kind_phys),                   intent(in)    :: time_step                        ! s
+    real(kind_phys),                   intent(in)    :: temperature(:,:)                 ! K
+    real(kind_phys),                   intent(in)    :: pressure(:,:)                    ! Pa
+    real(kind_phys),                   intent(in)    :: dry_air_density(:,:)             ! kg m-3
     type(ccpp_constituent_prop_ptr_t), intent(in)    :: constituent_props(:)
-    real(kind_phys),                   intent(inout) :: constituents(:,:,:)  ! kg kg-1
+    real(kind_phys),                   intent(inout) :: constituents(:,:,:)              ! kg kg-1
+    real(kind_phys),                   intent(in)    :: height(:,:)                      ! km
     character(len=512),                intent(out)   :: errmsg
     integer,                           intent(out)   :: errcode
 
+    call tuvx_run(height, temperature, dry_air_density, errmsg, errcode)
     call micm_run(time_step, temperature, pressure, dry_air_density, constituent_props, &
                   constituents, errmsg, errcode)
 
@@ -51,9 +55,10 @@ end subroutine musica_ccpp_run
   !> \section arg_table_musica_ccpp_final Argument Table
   !! \htmlinclude musica_ccpp_final.html
   subroutine musica_ccpp_final(errmsg, errcode)
-    integer, intent(out) :: errcode
+    integer,            intent(out) :: errcode
     character(len=512), intent(out) :: errmsg
 
+    call tuvx_final(errmsg, errcode)
     call micm_final(errmsg, errcode)
   end subroutine musica_ccpp_final
 

musica/musica_ccpp.meta

@@ -1,7 +1,7 @@
 [ccpp-table-properties]
   name = musica_ccpp
   type = scheme
-  dependencies = micm/musica_ccpp_micm.F90,musica_ccpp_util.F90
+  dependencies = micm/musica_ccpp_micm.F90,micm/musica_ccpp_tuvx.F90,musica_ccpp_util.F90
   dynamic_constituent_routine = musica_ccpp_register
 
 [ccpp-arg-table]

musica/musica_ccpp_namelist.xml

@@ -90,5 +90,18 @@
       <value>UNSET_PATH</value>
     </values>
   </entry>
+    <entry id="filename_of_tuvx_configuration">
+    <type>char*512</type>
+    <category>musica_ccpp</category>
+    <group>musica_ccpp</group>
+    <standard_name>filename_of_tuvx_configuration</standard_name>
+    <units>none</units>
+    <desc>
+     A configuration file for the TUVX photolysis rate calculator
+    </desc>
+    <values>
+      <value>UNSET_PATH</value>
+    </values>
+  </entry>
 
 </entry_id_pg>

musica/tuvx/musica_ccpp_tuvx.F90

@@ -0,0 +1,85 @@
+module musica_ccpp_tuvx
+  use iso_c_binding
+
+  ! Note: "tuvx_t" is included in an external pre-built tuvx library that the host
+  ! model is responsible for linking to during compilation
+  use musica_tuvx, only: tuvx_t
+  use musica_ccpp_util, only: has_error_occurred
+  use ccpp_kinds, only: kind_phys
+  use musica_ccpp_namelist, only: filename_of_tuvx_configuration
+
+  implicit none
+  private
+
+  public :: tuvx_init, tuvx_run, tuvx_final
+
+  type(tuvx_t), pointer  :: tuvx => null( )
+
+contains
+
+  !> Intitialize TUVX
+  subroutine tuvx_init(errmsg, errcode)
+    use musica_tuvx, only: grid_map_t, profile_map_t, radiator_map_t
+    use musica_util, only: error_t, mapping_t
+
+    character(len=512), intent(out) :: errmsg
+    integer,            intent(out) :: errcode
+
+    ! local variables
+    type(grid_map_t),     pointer    :: grids
+    type(profile_map_t),  pointer    :: profiles
+    type(radiator_map_t), pointer    :: radiators
+    type(error_t)                    :: error
+
+    errcode = 0
+    errmsg = ''
+
+    grids => grid_map_t( error )
+    if (has_error_occurred( error, errmsg, errcode )) return
+
+    profiles => profile_map_t( error )
+    if (has_error_occurred( error, errmsg, errcode )) return
+
+    radiators =>radiator_map_t( error )
+    if (has_error_occurred( error, errmsg, errcode )) return
+
+    tuvx => tuvx_t( filename_of_tuvx_configuration, error )
+    ! TODO(jiwon) - MUSICA TUVX constuctor needs update
+    ! tuvx => tuvx_t( filename_of_tuvx_configuration, grids, profiles, radiators, error )
+    if (has_error_occurred( error, errmsg, errcode )) return
+
+    deallocate( grids )
+    deallocate( profiles )
+    deallocate( radiators )
+
+  end subroutine tuvx_init
+
+  !> Calculates photolysis rate constants for the current model conditions
+  subroutine tuvx_run( height, temperature, dry_air_density, errmsg, errcode )
+    use musica_util, only: error_t
+
+    real(kind_phys),    intent(in)  :: height(:,:)                      ! [km] (layer, column)
+    real(kind_phys),    intent(in)  :: temperature(:,:)                 ! [K] (layer, column)
+    real(kind_phys),    intent(in)  :: dry_air_density(:,:)             ! [molecule cm-3] (layer, column)
+    character(len=512), intent(out) :: errmsg
+    integer,            intent(out) :: errcode
+
+    ! local variables
+    type(error_t) :: error
+
+    errcode = 0
+    errmsg = ''
+
+  end subroutine tuvx_run
+
+  !> Finalize tuvx
+  subroutine tuvx_final(errmsg, errcode)
+    character(len=512), intent(out) :: errmsg
+    integer,            intent(out) :: errcode
+
+    errcode = 0
+    errmsg = ''
+
+  end subroutine tuvx_final
+
+end module musica_ccpp_tuvx

test/docker/Dockerfile.musica

@@ -1,5 +1,7 @@
 FROM ubuntu:22.04
 
+ARG MUSICA_GIT_TAG=a030011202ff3f8b753981578fead22274b4d64c
+
 RUN apt update \
     && apt install -y sudo \
     && adduser test_user \
@@ -45,7 +47,7 @@ ENV FFLAGS="-I/usr/include/"
 RUN git clone https://github.com/NCAR/musica.git
 RUN cd musica \
     && git fetch \
-    && git checkout 2a5eeaac982a3eb80b96d1e2087b91b301d1e748 \
+    && git checkout ${MUSICA_GIT_TAG} \
     && cmake \
         -S . \
         -B build \
@@ -74,6 +76,7 @@ RUN cd atmospheric_physics/test \
     && cmake --build ./build
 
 RUN cd atmospheric_physics \
-    && cp -r test/musica/micm/configs/chapman ./test/build/chapman
+    && cp -r test/musica/micm/configs/chapman ./test/build/chapman \
+    && cp -r test/musica/tuvx/configs/ts1_tsmlt.json ./test/build/ts1_tsmlt.json
 
-WORKDIR /home/test_user/atmospheric_physics/test/build
+WORKDIR /home/test_user/atmospheric_physics/test/build

test/musica/CMakeLists.txt

@@ -1,10 +1,11 @@
 include(FetchContent)
 include(TestUtils)
 
+set(MUSICA_GIT_TAG a030011202ff3f8b753981578fead22274b4d64c CACHE STRING "Git tag for the musica repository")
+
 FetchContent_Declare(musica
   GIT_REPOSITORY https://github.com/NCAR/musica.git
-#  GIT_TAG        v0.6.1
-  GIT_TAG        2a5eeaac982a3eb80b96d1e2087b91b301d1e748
+  GIT_TAG        ${MUSICA_GIT_TAG}
 )
 
 set(MUSICA_BUILD_C_CXX_INTERFACE OFF)
@@ -13,7 +14,7 @@ set(MUSICA_ENABLE_TESTS OFF)
 set(MUSICA_ENABLE_INSTALL OFF)
 
 FetchContent_MakeAvailable(musica)
-
+ 
 # ---------------------------------------------------------
 # Create a test for MUSICA CCPP wrapper
 # ---------------------------------------------------------
@@ -23,6 +24,7 @@ add_executable(test_musica_api test_musica_api.F90 musica_ccpp_namelist.F90)
 target_sources(test_musica_api
   PUBLIC
     ${MUSICA_SRC_PATH}/micm/musica_ccpp_micm.F90
+    ${MUSICA_SRC_PATH}/tuvx/musica_ccpp_tuvx.F90
     ${MUSICA_SRC_PATH}/musica_ccpp.F90
     ${MUSICA_SRC_PATH}/musica_ccpp_util.F90
     ${CCPP_SRC_PATH}/ccpp_constituent_prop_mod.F90
@@ -50,4 +52,4 @@ add_test(
   WORKING_DIRECTORY ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}
 )
 
-add_memory_check_test(test_musica_api $<TARGET_FILE:test_musica_api> "" ${CMAKE_RUNTIME_OUTPUT_DIRECTORY})
+add_memory_check_test(test_musica_api $<TARGET_FILE:test_musica_api> "" ${CMAKE_RUNTIME_OUTPUT_DIRECTORY})

test/musica/musica_ccpp_namelist.F90

@@ -3,9 +3,10 @@ module musica_ccpp_namelist
 
   implicit none
 
+  public :: filename_of_micm_configuration, filename_of_tuvx_configuration
   private
-  public :: filename_of_micm_configuration
-
+
   character(len=*), parameter :: filename_of_micm_configuration = 'chapman'
+  character(len=*), parameter :: filename_of_tuvx_configuration = 'ts1_tsmlt.json'
 
 end module musica_ccpp_namelist