Summary

This release adds support for OpenMC in SaltProc via the addition of the DepcodeOpenMC class

Dependency Changes

• SaltProc now requires the following packages:
  • (new) → openmc
  • (new) → serpentTools
  • (formality) → pytables
• pyne>=0.5.11 → (removed)
• pydotplus → pydot

New Features

• openmc support via DepcodeOpenMC
• OpenMC compatible MSBR model.

Bug Fixes

• Fix bug where Serpent2 material temperatures are hardcoded to 900K in the JEFF 3.1.2 library format. by @yardasol
• Fix bug where using MCNP-style ZAID codes results in an error in various SerpentDepcode functions by @yardasol
• Fix bug where only one array of OpenMC Materials are stored in results by @yardasol

Script Changes

• Added convenience features to process_j312.bash
  • Control flow check for an XSDIR environment variable set by the user. This variable should point to the location where the user would like the library to be installed
  • Commands to download and run the xsdirconvert.pl script (found on the Serpent wiki) to convert the MCNP .dir style file to the Serpent .xsdata style file
  • Add SERPENT_DATA and SERPENT_ACELIB variables to .bashrc
• A new script, scripts/ci/openmc-xs.bash, that downloads the OpenMC HDF5 cross section library.
• A new script, download_endfb71.bash, that downloads the ENDF/B 7.1 cross section library -- including thermal scattering, decay, and fission yield data -- in ACE format.
• A new script, process_endfb71_to_openmc.bash, that converts the library created by download_endfb71.bash into an OpenMC-usable HDF5 format. Requires OpenMC to be installed from source to use.
• A new script openmc_msbr_model.py, that creates an OpenMC-usable MSBR model based on the Serpent MSBR model.

Python API Changes

• The test suite has been overhauled and moved to the tests/ directory. The test suite is no longer part of the saltproc package.
• Input file format changes:
  • Removed the -n command line argument in favor of the new mpi_args input parameter
  • Changed the -d command line argument to -s/--threads.
  • (new) → mpi_args
  • Added default values for certain input parameters
  • Added a zaid_convention input parameter
  • Added depletion settings for OpenMC
  • num_depsteps → n_depletion_steps
  • depcode['template_inputfile_path'] → depcode['template_input_file_path']
  • The depcode['template_input_file_path'] input variable now has the following depletion-code-depentent types:
    • str for Serpent2
    • dict of str to str for openmc
  • depcode['iter_inputfile'] → (removed)
  • depcode['iter_matfile'] → (removed)
  • depcode['npop'] → (removed)
  • depcode['active_cycles'] → (removed)
  • depcode['inactive_cycles'] → (removed)
  • reactor['dep_step_length_cumulative'] → depletion_timesteps
  • (new) → reactor['timestep_type']
  • (new) → reactor['timestep_units']

• New/changed classes, methods, and attributes:
  • Depcode
    • Added output_path parameter.
    • template_inputfile_path → template_input_file_path
    • Removed default values for geo_files
    • Changed iter_inputfile, iter_matfile to be attributes instead of parameters
    • Changed npop, active_cycles, inactive_cycles to be attributes instead of parameters
    • read_depcode_info() → read_step_metadata()
    • sim_info → step_metadata
    • read_depcode_step_param() → read_neutronics_parameters()
    • param → neutronics_parameters
    • read_dep_comp() → read_depleted_materials()
    • run_depcode() → run_depletion_step()
    • write_mat_file() → update_depletable_materials()
    • write_depcode_input() → write_runtime_input()
    • iter_inputfile → runtime_inputfile
    • iter_matfile → runtime_matfile
    • geo_files → geo_file_paths
  • DepcodeSerpent → SerpentDepcode
    • Added output_path parameter.
    • template_inputfile_path → template_input_file_path
    • Removed default values for exec_path, template_input_file_path, geo_files
    • Changed iter_inputfile, iter_matfile to be attributes instead of parameters
    • Changed npop, active_cycles, inactive_cycles to be attributes instead of parameters
    • read_depcode_info() → read_depletion_step_metadata()
    • sim_info → step_metadata
    • read_depcode_step_param() → read_neutronics_parameters()
    • param → neutronics_parameters
    • read_dep_comp() → read_depleted_materials()
    • create_nuclide_name_map_zam_to_serpent() → map_nuclide_code_zam_to_serpent()
    • run_depcode() → run_depletion_step()
    • write_mat_file() → update_depletable_materials()
    • get_nuc_name() → convert_nuclide_code_to_name()
    • convert_nuclide_name_serpent_to_zam() → convert_nuclide_code_to_zam()
    • create_iter_matfile() → create_runtime_matfile()
    • replace_burnup_parameters() → set_power_load()
    • write_depcode_input() → write_runtime_input()
    • iter_inputfile → runtime_inputfile
    • iter_matfile → runtime_matfile
    • geo_files → geo_file_paths
    • change_sim_par() → (deleted)
    • (new function) → get_neutron_settings()
    • (new function) → _get_burnable_materials_file()
    • (new function) → _get_burnable_material_card_data()
    • (new function) → resolve_include_paths()
    • (new function) → _convert_name_to_nuccode()
    • (new parameter) → zaid_convention
  • OpenMCDepcode is a Depcode subclass that interfaces with openmc. This class implements the following functions
    • run_depletion_step()
    • write_saltproc_openmc_tallies()
    • convert_nuclide_code_to_name()
    • switch_to_next_geometry()
    • write_runtime_input()
    • write_depletion_settings()
    • write_saltproc_openmc_tallies()
  • app.py
    • reprocessing() → reprocess_materials()
    • refill() → refill_materials()
    • read_feeds_from_input() → get_feeds()
    • read_processes_from_input() → get_extraction_processes()
    • read_dot() → get_extraction_process_paths()
  • Process
    • calc_rem_efficiency() → calculate_removal_efficiency()
  • Reactor
    • dep_step_length_cumulative → depletion_timesteps
    • (new) → timestep_units
    • (new) → timestep_type
  • (new) → Results
    • New class for reading the saltproc_results.h5 file
  • Simulation
    • core_number → (removed)
    • node_number → (removed)
    • (new function) → _add_missing_nuclides()
  • Sparger
    • calc_rem_efficiency() → calculate_removal_efficiency()
  • Separator
    • calc_rem_efficiency() → calculate_removal_efficiency()

Contributors

The following people contributed code to this release of SaltProc:

• @yardasol

Reviewers

The following people reviewed code for this release of SaltProc:

• @smpark7
• @LukeSeifert
• @munkm
• @abachma2
• @samgdotson
• @ZoeRichter

Summary

This prerelease adds support for OpenMC in SaltProc via the addition of the DepcodeOpenMC class. There are a few QoL issues I'm still working on for the full release, but all the critical OpenMC functionality is here in the prerelease!
Enjoy!

Dependency Changes

• SaltProc now optionally requires the following package:
  • (new) → openmc
• pyne>=0.5.11 → pyne>=0.5.11=nomoab_noopenmc*

New Features

• openmc support via DepcodeOpenMC
• OpenMC compatible MSBR model.

Bug Fixes

• Fix bug where Serpent2 material temperatures are hardcoded to 900K in the JEFF 3.1.2 library format. <https://github.com/arfc/saltproc/pull/178\>
• Fix bug where using MCNP-style ZAID codes results in an error in various SerpentDepcode functions <https://github.com/arfc/saltproc/issues/187\>

Script Changes

• Added convenience features to process_j312.bash
  • Control flow check for an XSDIR environment variable set by the user. This variable should point to the location where the user would like the library to be installed
  • Commands to download and run the xsdirconvert.pl script (found on the Serpent wiki) to convert the MCNP .dir style file to the Serpent .xsdata style file
  • Add SERPENT_DATA and SERPENT_ACELIB variables to .bashrc
• A new script, scripts/ci/openmc-xs.bash, that downloads the OpenMC HDF5 cross section library.
• A new script, download_endfb71.bash, that downloads the ENDF/B 7.1 cross section library -- including thermal scattering, decay, and fission yield data -- in ACE format.
• A new script, process_endfb71_to_openmc.bash, that converts the library created by download_endfb71.bash into an OpenMC-usable HDF5 format. Requires OpenMC to be installed from source to use.
• A new script openmc_msbr_model.py, that creates an OpenMC-usable MSBR model based on the Serpent MSBR model.

Python API Changes

• The test suite has been overhauled and moved to the tests/ directory. The test suite is no longer part of the saltproc package.
• Input file format changes:
  • Removed the -n command line argument in favor of the new mpi_args input parameter
  • Chaged the -d command line argument to -s/--threads.
  • (new) → mpi_args
  • Added default values for certain input parameters
  • Adds a zaid_convention input parameter
  • Added depletion settings for OpenMC
  • num_depsteps → n_depletion_steps
  • depcode['template_inputfile_path'] → depcode['template_input_file_path']
  • The depcode['template_input_file_path'] input variable now has the following depletion-code-depentent types:
    • str for Serpent2
    • dict of str to str for openmc
  • depcode['iter_inputfile'] → (removed)
  • depcode['iter_matfile'] → (removed)
  • depcode['npop'] → (removed)
  • depcode['active_cycles'] → (removed)
  • depcode['inactive_cycles'] → (removed)
  • reactor['dep_step_length_cumulative'] → depletion_timesteps
  • (new) → reactor['timestep_type']
  • (new) → reactor['timestep_units']

• New/changed classes, methods, and attributes:
  • Depcode
    • Add output_path parameter.
    • template_inputfile_path → template_input_file_path
    • Removed default values for geo_files
    • Changed iter_inputfile, iter_matfile to be attributes instead of parameters
    • Changed npop, active_cycles, inactive_cycles to be attributes instead of parameters
    • read_depcode_info() → read_step_metadata()
    • sim_info → step_metadata
    • read_depcode_step_param() → read_neutronics_parameters()
    • param → neutronics_parameters
    • read_dep_comp() → read_depleted_materials()
    • run_depcode() → run_depletion_step()
    • write_mat_file() → update_depletable_materials()
    • write_depcode_input() → write_runtime_input()
    • iter_inputfile → runtime_inputfile
    • iter_matfile → runtime_matfile
    • geo_files → geo_file_paths
  • DepcodeSerpent → SerpentDepcode
    • Add output_path parameter.
    • template_inputfile_path → template_input_file_path
    • Removed default values for exec_path, template_input_file_path, geo_files
    • Changed iter_inputfile, iter_matfile to be attributes instead of parameters
    • Changed npop, active_cycles, inactive_cycles to be attributes instead of parameters
    • read_depcode_info() → read_depletion_step_metadata()
    • sim_info → step_metadata
    • read_depcode_step_param() → read_neutronics_parameters()
    • param → neutronics_parameters
    • read_dep_comp() → read_depleted_materials()
    • create_nuclide_name_map_zam_to_serpent() → map_nuclide_code_zam_to_serpent()
    • run_depcode() → run_depletion_step()
    • write_mat_file() → update_depletable_materials()
    • get_nuc_name() → convert_nuclide_code_to_name()
    • convert_nuclide_name_serpent_to_zam() → convert_nuclide_code_to_zam()
    • create_iter_matfile() → create_runtime_matfile()
    • replace_burnup_parameters() → set_power_load()
    • write_depcode_input() → write_runtime_input()
    • iter_inputfile → runtime_inputfile
    • iter_matfile → runtime_matfile
    • geo_files → geo_file_paths
    • change_sim_par() → (deleted)
    • (new function) → get_neutron_settings()
    • (new function) → _get_burnable_materials_file()
    • (new function) → _get_burnable_material_card_data()
    • (new function) → resolve_include_paths()
    • (new function) → _convert_name_to_nuccode()
    • (new parameter) → zaid_convention
  • OpenMCDepcode is a Depcode subclass that interfaces with openmc. This class implements the following functions
    • run_depletion_step()
    • write_saltproc_openmc_tallies()
    • convert_nuclide_code_to_name()
    • switch_to_next_geometry()
    • write_runtime_input()
    • write_depletion_settings()
    • write_saltproc_openmc_tallies()
  • app.py
    • reprocessing() → reprocess_materials()
    • refill() → refill_materials()
    • read_feeds_from_input → get_feeds()
    • read_processes_from_input → get_extraction_processes()
    • read_dot() → get_extraction_process_paths()
  • Process
    • calc_rem_efficiency() → calculate_removal_efficiency
  • Reactor
    • dep_step_length_cumulative → depletion_timesteps
    • (new) → timestep_units
    • (new) → timestep_type
  • Simulation
    • core_number → (removed)
    • node_number → (removed)
    • (new function) → _add_missing_nuclides()
  • Sparger
    • calc_rem_efficiency() → calculate_removal_efficiency
  • Separator
    • calc_rem_efficiency() → calculate_removal_efficiency

Contributors

The following people contributed code to this release of SaltProc:

• @yardasol

Reviewers

The following people reviewed code for this release of SaltProc:

• @abachma2
• @ZoeRichter
• @LukeSeifert
• @samgdotson
• @munkm

Summary

This version of SaltProc refactors the code in preparation for supporting OpenMC.

Dependency Changes

• Saltproc now requires the following packages
  • (new) → jsonschema

New Features

• Refactor app.py and simulation.py to prepare for OpenMC support by @yardasol
• New input file format that is checked against a verifiable JSON Schema by @yardasol
• Release notes in the online docs by @yardasol

Bug Fixes

• Fix typos in process_j312.bash

Script Changes

• The following scripts have been renamed:
  • process_j312.sh → process_j312.bash

Python API Changes

• New tests for previously untested functions in simulation.py:
  • test_check_switch_geo_trigger
  • test_store_after_repr
  • test_store_mat_data
  • test_store_run_init_info
  • test_store_run_step_info
• The following class methods have been added/(re)moved:
  • App.check_restart() → Simulation.check_restart()
  • Simulation.switch_to_next_geometry → DepcodeSerpent.switch_to_next_geometry
  • Simulation.runsim_no_reproc → test/integration_tests/test_no_reproc_run.py::runsim_no_reproc
  • Simulation.store_run_step_info
  • Simulation.store_run_init_info
  • (new) → Depcode.switch_to_next_geometry
  • (new) → Depcode.read_depcode_info
  • (new) → Depcode.read_repcode_step_param
  • DepcodeSerpent.sss_meta_zzz → DepcodeSerpent.convert_nuclide_name_serpent_to_zam
  • DepcodeSerpent.get_tra_or_dec → DepcodeSerpent.create_nuclide_name_map_zam_to_serpent
  • DepcodeSerpent.read_depcode_template → DepcodeSerpent.read_plaintext_file
• Updated input file structure:
  • App.depcode_inp dictionary
    • (new) → App.depcode_inp['codename']
    • App.exec_path
    • App.template_file
    • App.neutron_pop → App.depcode_inp['npop']
    • App.active_cycles
    • App.inactive_cycles
    • App.geo_file → App.depcode_inp['geo_file_paths']
  • App.simulation_inp dictionary:
    • (new) → App.simulation['sim_name']
    • App.db_file → App.simulation['db_name']
    • App.restart_flag
    • App.adjust_geo
  • App.reactor_inp dictionary
    • (new) → App.reactor_inp['volume']
    • (new) → App.reactor_inp['mass_flowrate']
    • App.power_levels
    • App.depl_hist → App.reactor_inp['dep_step_length_cumulative']
• The following class attributes have been added/(re)moved:
  • Depcode class:
    • template_path → template_inputfile_path
    • input_path → iter_inputfile
    • geo_file → geo_files
  • Simulation class:
    • h5_file → db_path
    • (new) → restart_flag
    • (new) → adjust_geo
    • iter_matfile → (removed)
• The signatures for the following class methods have changed to better make use of object data encapsulation:
  • Depcode.read_dep_comp
  • Depcode.write_depcode_input
  • Depcode.write_mat_file
  • DepcodeSerpent.read_depcode_template
  • DepcodeSerpent.create_nuclide_map_serpent_to_zam

Contributors

The following people contributed code to this release of SaltProc:

• @yardasol

Reviewers

The following people reviewed code for this release of SaltProc:

• @abachma2
• @ZoeRichter
• @gwenchee
• @LukeSeifert
• @munkm

This release of SaltProc adds several new features, including a refactor of depcode, updated documentation, and installation guides. Make sure you apply this bug fix in your Serpent2 code if you haven't already.

New Features

• Complete refactor of the code into object-oriented python.
• Adds a Sparging system package -- contained in the sparger and separator modules -- that calculates removal efficiencies for various target isotopes (i.e. Xe, Kr, H).
• Adds a script for creating a Serpent2 compatible cross section library
• Refactors the depcode module by making Depcode a purley abstract class; add the DepcodeSerpent class which is an instance of Depcode

Bug Fixes

• Remove cruft in master
• Update Geometry file syntax to Serpent 2 standards
• Update issue and PR templates
• Fix incorrect variable call in app.read_dot
• Fix typos in documentation

Commit list

• Isotope find by @jbae11 in #23
• Saltproc capability addition and UI improvement by @jbae11 in #29
• Completely refactored and changed after latest Teddy's release (0.2.0) by @andrewryh in #37
• Update README.md only to address #41 by @andrewryh in #45
• Bringing SaltProc repository up to date by @andrewryh in #47
• Scripts and input files for sensitivity analysis of msbr design by @mehmeturkmen in #48
• Saltproc multiple run flexibility by @mehmeturkmen in #49
• Adding sparging system to saltproc by @mehmeturkmen in #50
• The updated "overview.rst" file for the latest change in Saltproc by @mehmeturkmen in #53
• Improved separator using Jiaqi's new correlation by @mehmeturkmen in #54
• Create ci.yml by @yardasol in #61
• Call name instead of __string__ to assign mat_name by @yardasol in #63
• Add issue + PR templates by @yardasol in #66
• Update README and Contributing by @yardasol in #71
• Refactor depcode by @yardasol in #64
• 2nd attempt: Update issue template formatting. by @yardasol in #75
• Update example and integration test input files to serpent 2 syntax by @yardasol in #89
• Remove cruft files from master branch by @yardasol in #86
• doc additions, docstring typo fixes, cross section processing scripts by @yardasol in #90
• Patch #90 (pep8 issues, docstring consistency) by @yardasol in #92

Contributors

• @yardasol
• @mehmeturkmen
• @andrewryh
• @jbae11

Full Changelog: v0.2.0...v0.3.0

The script is able to rerun SERPENT 2 burnup simulation, remove target isotopes with specific efficiency,
keep number density of target isotopes constant and keep track of Pa-233 --> U-233 decaying in the separate tank.