Enable mosaic support if available (#209)

Author: jcurtis2

CMakeLists.txt

@@ -286,6 +286,17 @@ target_include_directories(partmclib PRIVATE
 target_link_libraries(partmclib PRIVATE camplib)
 target_link_libraries(partmclib PRIVATE ${SUNDIALS_items})
 target_link_libraries(partmclib PRIVATE klulib)
+if(DEFINED ENV{MOSAIC_HOME})
+  message(STATUS "MOSAIC enabled: $ENV{MOSAIC_HOME}")
+  target_compile_definitions(partmclib PRIVATE PMC_USE_MOSAIC="1")
+  find_library(mosaiclib mosaic
+      DOC "MOSAIC library"
+      PATHS  $ENV{MOSAIC_HOME})
+  target_link_libraries(partmclib PRIVATE ${mosaiclib})
+  target_include_directories(partmclib PRIVATE
+      $ENV{MOSAIC_HOME}/datamodules
+  )
+endif()
 
 ### PYBIND11 & PyPartMC ############################################################################
 

README.md

@@ -78,6 +78,7 @@ PyPartMC is used within the [test workflow of the PySDM project](https://github.
 - JSON support is handled with [nlohmann::json](https://github.com/nlohmann/json) and [pybind11_json](https://github.com/pybind/pybind11_json)
 - PartMC and selected parts of SUNDIALS are statically linked (and compiled in during `pip install` or `python -m build`) 
 - C (SUNDIALS), C++ (pybind11, ...) and Fortran (PartMC, CAMP) dependencies are linked through [git submodules](https://github.com/open-atmos/PyPartMC/blob/main/.gitmodules)
+- MOSAIC dependency is optionally linked through setting the environmental variable MOSAIC_HOME
 - a [mock of Fortran netCDF API](https://github.com/open-atmos/PyPartMC/blob/main/src/fake_netcdf.F90) and a [mock of PartMC spec file API](https://github.com/open-atmos/PyPartMC/blob/main/src/fake_spec_file.F90) are used for i/o from/to JSON 
 
 ## Troubleshooting 

src/run_part.F90

@@ -51,6 +51,12 @@ subroutine f_run_part( &
     call c_f_pointer(gas_data_ptr_c, gas_data_ptr_f)
     call c_f_pointer(gas_state_ptr_c, gas_state_ptr_f)
     call c_f_pointer(run_part_opt_ptr_c, run_part_opt_ptr_f)
+
+    if (env_state_ptr_f%elapsed_time < run_part_opt_ptr_f%del_t) then
+       call mosaic_init(env_state_ptr_f, aero_data_ptr_f, run_part_opt_ptr_f%del_t, &
+            run_part_opt_ptr_f%do_optical)
+    end if
+
     call run_part( &
       scenario_ptr_f, &
       env_state_ptr_f, &
@@ -127,6 +133,10 @@ subroutine f_run_part_timestep( &
     progress_n_dil_out = 0
     progress_n_nuc = 0
 
+    if (env_state_ptr_f%elapsed_time < run_part_opt_ptr_f%del_t) then
+       call mosaic_init(env_state_ptr_f, aero_data_ptr_f, run_part_opt_ptr_f%del_t, &
+            run_part_opt_ptr_f%do_optical)
+    end if
     call run_part_timestep(scenario_ptr_f, env_state_ptr_f, aero_data_ptr_f, aero_state_ptr_f, &
        gas_data_ptr_f, gas_state_ptr_f, run_part_opt_ptr_f, camp_core_ptr_f, photolysis_ptr_f, &
        i_time, t_start, last_output_time, &
@@ -204,6 +214,11 @@ subroutine f_run_part_timeblock( &
     progress_n_dil_out = 0
     progress_n_nuc = 0
 
+    if (env_state_ptr_f%elapsed_time < run_part_opt_ptr_f%del_t) then
+       call mosaic_init(env_state_ptr_f, aero_data_ptr_f, run_part_opt_ptr_f%del_t, &
+            run_part_opt_ptr_f%do_optical)
+    end if
+
     call run_part_timeblock(scenario_ptr_f, env_state_ptr_f, aero_data_ptr_f, aero_state_ptr_f, &
        gas_data_ptr_f, gas_state_ptr_f, run_part_opt_ptr_f, camp_core_ptr_f, photolysis_ptr_f, &
        i_time, i_next, t_start, last_output_time, &

src/run_part_opt.F90

@@ -48,7 +48,7 @@ subroutine f_run_part_opt_from_json(ptr_c) bind(C)
         call spec_file_read_logical(file, 'do_parallel', run_part_opt%do_parallel)
        if (run_part_opt%do_parallel) then
 #ifndef PMC_USE_MPI
-          call spec_file_die_msg(929006383, file, &
+          call spec_file_die_msg(929006384, file, &
                'cannot use parallel mode, support is not compiled in')
 #endif
           call spec_file_read_output_type(file, run_part_opt%output_type)
@@ -68,32 +68,60 @@ subroutine f_run_part_opt_from_json(ptr_c) bind(C)
           run_part_opt%parallel_coag_type = PARALLEL_COAG_TYPE_LOCAL
        end if
 
+       call spec_file_read_logical(file, 'do_mosaic', run_part_opt%do_mosaic)
+       if (run_part_opt%do_mosaic .and. (.not. mosaic_support())) then
+          call spec_file_die_msg(230495366, file, &
+               'cannot use MOSAIC, support is not compiled in')
+       end if
+
+       if (run_part_opt%do_mosaic) then
+          call spec_file_read_logical(file, 'do_optical', &
+               run_part_opt%do_optical)
+       else
+          run_part_opt%do_optical = .false.
+       end if
+
        call spec_file_read_logical(file, 'do_nucleation', &
             run_part_opt%do_nucleation)
-       !if (run_part_opt%do_nucleation) then
-       !   call spec_file_read_nucleate_type(file, aero_data, &
-       !        run_part_opt%nucleate_type, run_part_opt%nucleate_source)
-       !else
-       run_part_opt%nucleate_type = NUCLEATE_TYPE_INVALID
-       !end if
+       !!! TODO #214
+       if (run_part_opt%do_nucleation) then
+          call spec_file_die_msg(230495367, file, &
+               'cannot use nucleation, support is not compiled in')
+       end if
+!       if (run_part_opt%do_nucleation) then
+!          call spec_file_read_nucleate_type(file, aero_data, &
+!               run_part_opt%nucleate_type, run_part_opt%nucleate_source)
+!       else
+!          run_part_opt%nucleate_type = NUCLEATE_TYPE_INVALID
+!       end if
 
        call spec_file_read_logical(file, 'do_condensation', &
             run_part_opt%do_condensation)
+#ifndef PMC_USE_SUNDIALS
+       call assert_msg(121370218, &
+            run_part_opt%do_condensation .eqv. .false., &
+            "cannot use condensation, SUNDIALS support is not compiled in")
+#endif
+
+       if (run_part_opt%do_mosaic .and. run_part_opt%do_condensation) then
+          call spec_file_die_msg(599877805, file, &
+               'cannot use MOSAIC and condensation simultaneously')
+       end if
 
-        call spec_file_read_real(file, 't_max', run_part_opt%t_max)
-        call spec_file_read_real(file, 'del_t', run_part_opt%del_t)
-        call spec_file_read_real(file, 't_output', run_part_opt%t_output)
-        call spec_file_read_real(file, 't_progress', run_part_opt%t_progress)
+       call spec_file_read_real(file, 't_max', run_part_opt%t_max)
+       call spec_file_read_real(file, 'del_t', run_part_opt%del_t)
+       call spec_file_read_real(file, 't_output', run_part_opt%t_output)
+       call spec_file_read_real(file, 't_progress', run_part_opt%t_progress)
 
-        call spec_file_read_integer(file, 'rand_init', rand_init)
-        call spec_file_read_logical(file, 'allow_doubling', run_part_opt%allow_doubling)
-        call spec_file_read_logical(file, 'allow_halving', run_part_opt%allow_halving)
+       call spec_file_read_integer(file, 'rand_init', rand_init)
+       call spec_file_read_logical(file, 'allow_doubling', run_part_opt%allow_doubling)
+       call spec_file_read_logical(file, 'allow_halving', run_part_opt%allow_halving)
 
-        call spec_file_read_logical(file, 'do_camp_chem', run_part_opt%do_camp_chem)
+       call spec_file_read_logical(file, 'do_camp_chem', run_part_opt%do_camp_chem)
 
-        run_part_opt%output_type = OUTPUT_TYPE_SINGLE
+       run_part_opt%output_type = OUTPUT_TYPE_SINGLE
 
-        call pmc_srand(rand_init, 0)
+       call pmc_srand(rand_init, 0)
 
     end subroutine
 

tests/test_run_part_opt.py

@@ -15,6 +15,8 @@
     "do_coagulation": False,
     "do_parallel": False,
     "do_nucleation": False,
+    "do_mosaic": False,
+    "do_optical": False,
     "do_condensation": False,
     "do_camp_chem": False,
     "t_max": 0,