Constituent updates

[peverwhee]

Summary

Brings in optional metadata field to enable dynamic (run-time) constituents; also brings in a couple new methods for the constituent object.

closes #557

Description

Key dynamic constituent mods:

• ccpp_capgen.py: create dynamic constituent dictionary (key=scheme name) and pass into API()
• constituents.py: add handling of dynamic constituents to register constituents routine (including conditional call(s) to user-supplied routines); update error handling for register_constituents

Includes additional constituent object methods:

• set_water_species
• set_min_val
• set_molar_mass

Includes fixes to ensure consistent order of generated code (use statements, variables, etc)

Also brings back the .github/workflow/python.yaml workflow that got lost somehow

User interface changes?: Yes, but optional User can now use "dynamic_constituent_routine" metadata header field to point to a function contained within the module fortran.

Testing: Modified advection test to include dynamic constituent routines. Added doctests to ccpp_datafile

Generated code snippet

   subroutine test_host_ccpp_register_constituents(host_constituents, errflg, errmsg)
      ! Create constituent object for suites in 

      use ccpp_constituent_prop_mod, only: ccpp_constituent_properties_t
      ! Suite constituent interfaces
      use ccpp_cld_suite_cap,        only: cld_suite_constituents_num_consts
      use ccpp_cld_suite_cap,        only: cld_suite_constituents_const_name
      use ccpp_cld_suite_cap,        only: cld_suite_constituents_copy_const
      ! Dynamic constituent routines
      use cld_liq, only: cld_liq_dynamic_constituents
      use cld_ice, only: cld_ice_dynamic_constituents

      ! Dummy arguments
      type(ccpp_constituent_properties_t), target, intent(in)  :: host_constituents(:)
      character(len=512), intent(out)   :: errmsg ! ccpp_error_message
      integer,            intent(out)   :: errflg ! ccpp_error_code
      ! Local variables
      integer                                      :: num_suite_consts
      integer                                      :: num_consts
      integer                                      :: num_dyn_consts
      integer                                      :: index, index_start
      integer                                      :: field_ind
      type(ccpp_constituent_properties_t), pointer :: const_prop
      ! dynamic constituent props variable for cld_ice
      type(ccpp_constituent_properties_t), allocatable :: dyn_const_prop_0(:)
      ! dynamic constituent props variable for cld_liq
      type(ccpp_constituent_properties_t), allocatable :: dyn_const_prop_1(:)

      errflg = 0
      num_consts = size(host_constituents, 1)
      num_dyn_consts = 0
      ! Number of suite constants for cld_suite
      num_suite_consts = cld_suite_constituents_num_consts(errflg=errflg, errmsg=errmsg)
      if (errflg /= 0) then
         return
      end if
      num_consts = num_consts + num_suite_consts
      ! Add in dynamic constituents
      call cld_ice_dynamic_constituents(dyn_const_prop_0, errcode=errflg, errmsg=errmsg)
      if (errflg /= 0) then
         return
      end if
      num_dyn_consts = num_dyn_consts + size(dyn_const_prop_0)
      call cld_liq_dynamic_constituents(dyn_const_prop_1, errcode=errflg, errmsg=errmsg)
      if (errflg /= 0) then
         return
      end if
      num_dyn_consts = num_dyn_consts + size(dyn_const_prop_1)
      num_consts = num_consts + num_dyn_consts
      ! Pack dynamic_constituents array
      allocate(dynamic_constituents(num_dyn_consts), stat=errflg)
      if (errflg /= 0) then
         errmsg = 'failed to allocate dynamic_constituents'
         return
      end if
      index_start = 0
      do index = 1, size(dyn_const_prop_0, 1)
         dynamic_constituents(index + index_start) = dyn_const_prop_0(index)
      end do
      index_start = size(dyn_const_prop_0, 1)
      deallocate(dyn_const_prop_0)
      do index = 1, size(dyn_const_prop_1, 1)
         dynamic_constituents(index + index_start) = dyn_const_prop_1(index)
      end do
      index_start = size(dyn_const_prop_1, 1)
      deallocate(dyn_const_prop_1)
      ! Initialize constituent data and field object
      call test_host_constituents_obj%initialize_table(num_consts)
      ! Add host model constituent metadata
      do index = 1, size(host_constituents, 1)
         const_prop => host_constituents(index)
         call test_host_constituents_obj%new_field(const_prop, errcode=errflg, errmsg=errmsg)
         nullify(const_prop)
         if (errflg /= 0) then
            return
         end if
      end do

      ! Add dynamic constituent properties
      do index = 1, size(dynamic_constituents, 1)
         const_prop => dynamic_constituents(index)
         call test_host_constituents_obj%new_field(const_prop, errcode=errflg, errmsg=errmsg)
         nullify(const_prop)
         if (errflg /= 0) then
            return
         end if
      end do
      ! Add cld_suite constituent metadata
      num_suite_consts = cld_suite_constituents_num_consts(errflg=errflg, errmsg=errmsg)
      if (errflg /= 0) then
         return
      end if
      do index = 1, num_suite_consts
         allocate(const_prop, stat=errflg)
         if (errflg /= 0) then
            errmsg = "ERROR allocating const_prop"
            return
         end if
         call cld_suite_constituents_copy_const(index, const_prop, errflg=errflg, errmsg=errmsg)
         if (errflg /= 0) then
            return
         end if
         call test_host_constituents_obj%new_field(const_prop, errcode=errflg, errmsg=errmsg)
         nullify(const_prop)
         if (errflg /= 0) then
            return
         end if
      end do

      call test_host_constituents_obj%lock_table(errcode=errflg, errmsg=errmsg)
      if (errflg /= 0) then
         return
      end if
! Set the index for each active constituent
      do index = 1, SIZE(test_host_model_const_indices)
         call test_host_constituents_obj%const_index(field_ind,                                   &
              test_host_model_const_stdnames(index), errcode=errflg, errmsg=errmsg)
         if (errflg /= 0) then
            return
         end if
         if (field_ind > 0) then
            test_host_model_const_indices(index) = field_ind
         else
            errflg = 1
            errmsg = 'No field index for '//trim(test_host_model_const_stdnames(index))
            return
         end if
      end do

[dustinswales]

@peverwhee dyn_const_prop_0 and dyn_const_prop_1 are defined with the target attribute, but it's not needed. Is this intentional, or possibly an oversight/err by me in my previous commit?

[peverwhee]

@dustinswales not intentional! I removed the "target" attribute

[gold2718]

Some test suggestion:

• Test for handling of duplicate compatible constituent
• Test for handling of duplicate semi-compatible constituent (e.g., unit difference), that the framework cannot handle.
• Test for handling of duplicate incompatible constituent

[peverwhee]

Some test suggestion:

• Test for handling of duplicate compatible constituent
• Test for handling of duplicate semi-compatible constituent (e.g., unit difference), that the framework cannot handle.
• Test for handling of duplicate incompatible constituent

Added logic to the constituents object to check for compatibility before adding a new constituent. Right now, that logic only checks a logical and character properties (advected, water species, thermo active, units). And added the following tests to the advection_test:

• Compatible constituent
• incompatible constituent

Also added unit tests to test parsing and fortran vs metadata comparisons

[grantfirl]

@gold2718 @mwaxmonsky Would you like to re-review before merging this?

[gold2718]

@gold2718 @mwaxmonsky Would you like to re-review before merging this?

Sorry, can I have today?

[grantfirl]

@gold2718 @mwaxmonsky Would you like to re-review before merging this?

Sorry, can I have today?

Sure. We're trying to attach this to a set of UFS PRs that are on a queue to be final tested/merged early next week. If we can get final approval this week, it should be fine.