openmc-data 2.2.8__tar.gz → 2.2.10__tar.gz

{openmc_data-2.2.8 → openmc_data-2.2.10}/.github/workflows/test_package.yml

@@ -4,10 +4,16 @@ on:
   workflow_dispatch:
   pull_request:    
     branches:
-    - main  
+      - main
+    paths-ignore:
+      - "**.md"
+      - "**.txt"
+      - "**.cff"
+      - 'docs/**'
+      - '.gitignore'
   push:
     branches:
-    - main
+      - main
 
 
 jobs:

{openmc_data-2.2.8 → openmc_data-2.2.10}/.github/workflows/test_processing.yml

@@ -4,10 +4,16 @@ on:
   workflow_dispatch:
   pull_request:    
     branches:
-    - main  
+      - main
+    paths-ignore:
+      - "**.md"
+      - "**.txt"
+      - "**.cff"
+      - 'docs/**'
+      - '.gitignore'
   push:
     branches:
-    - main
+      - main
 
 
 jobs:

{openmc_data-2.2.8 → openmc_data-2.2.10}/.github/workflows/test_urls.yml

@@ -4,7 +4,13 @@ on:
   workflow_dispatch:
   pull_request:    
     branches:
-    - main  
+      - main
+    paths-ignore:
+      - "**.md"
+      - "**.txt"
+      - "**.cff"
+      - 'docs/**'
+      - '.gitignore'  
   push:
     branches:
     - main

{openmc_data-2.2.8 → openmc_data-2.2.10}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: openmc_data
-Version: 2.2.8
+Version: 2.2.10
 Summary: A Python package containing a collection of scripts for producing and downloading data for OpenMC
 Author-email: Jonathan Shimwell <mail@jshimwell.com>
 License: Copyright (c) 2019-2022 UChicago Argonne LLC and contributors
@@ -37,20 +37,14 @@ Requires-Dist: pytest; extra == "tests"
 Requires-Dist: requests; extra == "tests"
 
 [![test_urls](https://github.com/shimwell/data/actions/workflows/test_urls.yml/badge.svg)](https://github.com/shimwell/data/actions/workflows/test_urls.yml)
-
 [![test_package](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml)
-
 [![test_convert_scripts](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml)
 
 
-# OpenMC Data Scripts
-
-This repository contains a collection of scripts for generating HDF5 data
-libraries and xml chain files that can be used with OpenMC. Some of these
-scripts convert existing ACE libraries (such as those produced by LANL) whereas
-generate scripts use NJOY to process ENDF files directly.
+# OpenMC Data
 
-Another source of data libraries for OpenMC is the [Windowed Multipole Library](https://github.com/mit-crpg/WMP_Library) repository which enables on-the-fly Doppler broadening to an arbitrary temperature.
+Aims to facilitate the use of different nuclear data libraries with OpenMC by
+providing command line tools that process and download nuclear data automatically.
 
 # Prerequisites
 
@@ -58,7 +52,7 @@ You should have already installed OpenMC, see the [docs](https://docs.openmc.org
 
 # Installation
 
-Currently the package can be installed from this temporary repository.
+The package is distributed on [PYPI](https://pypi.org/project/openmc-data/) and can be installed with pip.
 
 ```bash
 pip install openmc_data
@@ -75,7 +69,7 @@ For example:
 
 ```convert_endf --help```
 
-Some scripts (mainly the generate scripts) require NJOY to be installed and
+Some scripts (mainly the generate scripts) require [NJOY](https://github.com/njoy/NJOY2016) to be installed and
 added to your path.
 
 A few categories of scripts are available:
@@ -149,8 +143,9 @@ A few categories of scripts are available:
 |-|-|-|
 |generate_endf_chain | ENDF/B | VII.1<br>VIII.0  |
 |generate_jeff_chain | JEFF | 3.3  |
-|generate_serpent_fissq | |  |
+|generate_jendl_chain | JENDL | 5.0 |
 |generate_tendl_chain | TENDL | 2019<br>2021 |
+|generate_serpent_fissq | |  |
 |generate_endf71_chain_casl | ENDF/B |  |
 
 ### Download chain files

{openmc_data-2.2.8 → openmc_data-2.2.10}/README.md

@@ -1,18 +1,12 @@
 [![test_urls](https://github.com/shimwell/data/actions/workflows/test_urls.yml/badge.svg)](https://github.com/shimwell/data/actions/workflows/test_urls.yml)
-
 [![test_package](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml)
-
 [![test_convert_scripts](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml)
 
 
-# OpenMC Data Scripts
-
-This repository contains a collection of scripts for generating HDF5 data
-libraries and xml chain files that can be used with OpenMC. Some of these
-scripts convert existing ACE libraries (such as those produced by LANL) whereas
-generate scripts use NJOY to process ENDF files directly.
+# OpenMC Data
 
-Another source of data libraries for OpenMC is the [Windowed Multipole Library](https://github.com/mit-crpg/WMP_Library) repository which enables on-the-fly Doppler broadening to an arbitrary temperature.
+Aims to facilitate the use of different nuclear data libraries with OpenMC by
+providing command line tools that process and download nuclear data automatically.
 
 # Prerequisites
 
@@ -20,7 +14,7 @@ You should have already installed OpenMC, see the [docs](https://docs.openmc.org
 
 # Installation
 
-Currently the package can be installed from this temporary repository.
+The package is distributed on [PYPI](https://pypi.org/project/openmc-data/) and can be installed with pip.
 
 ```bash
 pip install openmc_data
@@ -37,7 +31,7 @@ For example:
 
 ```convert_endf --help```
 
-Some scripts (mainly the generate scripts) require NJOY to be installed and
+Some scripts (mainly the generate scripts) require [NJOY](https://github.com/njoy/NJOY2016) to be installed and
 added to your path.
 
 A few categories of scripts are available:
@@ -111,8 +105,9 @@ A few categories of scripts are available:
 |-|-|-|
 |generate_endf_chain | ENDF/B | VII.1<br>VIII.0  |
 |generate_jeff_chain | JEFF | 3.3  |
-|generate_serpent_fissq | |  |
+|generate_jendl_chain | JENDL | 5.0 |
 |generate_tendl_chain | TENDL | 2019<br>2021 |
+|generate_serpent_fissq | |  |
 |generate_endf71_chain_casl | ENDF/B |  |
 
 ### Download chain files

{openmc_data-2.2.8 → openmc_data-2.2.10}/pyproject.toml

@@ -63,6 +63,7 @@ generate_fendl = "openmc_data.generate.generate_fendl:main"
 generate_endf71_chain_casl = "openmc_data.depletion.generate_endf71_chain_casl:main"
 generate_endf_chain = "openmc_data.depletion.generate_endf_chain:main"
 generate_jeff_chain = "openmc_data.depletion.generate_jeff_chain:main"
+generate_jendl_chain = "openmc_data.depletion.generate_jendl_chain:main"
 generate_serpent_fissq = "openmc_data.depletion.generate_serpent_fissq:main"
 generate_tendl_chain = "openmc_data.depletion.generate_tendl_chain:main"
 

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/_version.py

@@ -12,5 +12,5 @@ __version__: str
 __version_tuple__: VERSION_TUPLE
 version_tuple: VERSION_TUPLE
 
-__version__ = version = '2.2.8'
-__version_tuple__ = version_tuple = (2, 2, 8)
+__version__ = version = '2.2.10'
+__version_tuple__ = version_tuple = (2, 2, 10)

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/depletion/generate_endf71_chain_casl.py

@@ -97,7 +97,7 @@ def main():
     reactions = {}
     for f in neutron_files:
         evaluation = openmc.data.endf.Evaluation(f)
-        nuc_name = evaluation.gnd_name
+        nuc_name = evaluation.gnds_name
         if nuc_name in CASL_CHAIN:
             reactions[nuc_name] = {}
             for mf, mt, nc, mod in evaluation.reaction_list:

openmc_data-2.2.10/src/openmc_data/depletion/generate_jendl_chain.py

@@ -0,0 +1,127 @@
+#!/usr/bin/env python3
+
+import argparse
+import ssl
+from pathlib import Path
+from urllib.parse import urljoin
+
+import openmc.deplete
+
+from openmc_data.utils import download, extract
+from openmc_data import all_decay_release_details
+
+
+# Parse command line arguments
+parser = argparse.ArgumentParser(prog="generate_jeff_chain",
+    description="Generates a OpenMC chain file from JENDL nuclear data files",
+)
+parser.add_argument('-r', '--release', choices=['5.0'],
+                    default='5.0', help="The nuclear data library release "
+                    "version. The only currently supported option is 5.0.")
+parser.add_argument(
+    "-d",
+    "--destination",
+    type=Path,
+    default=None,
+    help="filename of the chain file xml file produced. If left as None then "
+    "the filename will follow this format 'chain_jendl_{release}.xml'",
+)
+parser.add_argument(
+    "--neutron",
+    type=Path,
+    default=[],
+    nargs="+",
+    help="Path to neutron endf files, if not provided, neutron files will be downloaded.",
+)
+parser.add_argument(
+    "--decay",
+    type=Path,
+    default=[],
+    nargs="+",
+    help="Path to decay data files, if not provided, decay files will be downloaded.",
+)
+parser.add_argument(
+    "--fpy",
+    type=Path,
+    default=[],
+    nargs="+",
+    help="Path to neutron fission product yield files, if not provided, fission yield files will be downloaded.",
+)
+args = parser.parse_args()
+
+def main():
+
+    library_name = 'jendl'
+
+    cwd = Path.cwd()
+
+    # DOWNLOAD NEUTRON DATA
+    endf_files_dir = cwd.joinpath('-'.join([library_name, args.release, 'endf']))
+    download_path = cwd.joinpath('-'.join([library_name, args.release, 'download']))
+    neutron_files = args.neutron
+    if not neutron_files:
+        details = all_decay_release_details[library_name][args.release]['neutron']
+
+        for f in details['compressed_files']:
+            # Establish connection to URL
+            download(
+                urljoin(details['base_url'], f),
+                context=ssl._create_unverified_context(),
+                output_path=download_path
+            )
+        extract(
+            compressed_files=[download_path / f for f in details['compressed_files']],
+            extraction_dir=endf_files_dir,
+            del_compressed_file=False
+        )
+        for erratum in details["errata"]:
+            files = Path('.').rglob(erratum)
+            for p in files:
+                p.rename((endf_files_dir / details["endf_files"]).parent / p.name)
+        neutron_files = endf_files_dir.glob(details['endf_files'])
+
+    decay_files = args.decay
+    if not decay_files:
+        details = all_decay_release_details[library_name][args.release]['decay']
+        for base_url, file in zip(details['base_url'], details['compressed_files']):
+            downloaded_file = download(
+                url=urljoin(base_url, file),
+                output_path=Path(".")
+            )
+
+            extract([downloaded_file], Path("."))
+        decay_files = list(Path('.').rglob(details["decay_files"]))
+
+    fpy_files = args.fpy
+    if not fpy_files:
+        details = all_decay_release_details[library_name][args.release]['nfy']
+        for base_url, file in zip(details['base_url'], details['compressed_files']):
+            downloaded_file = download(
+                url=urljoin(base_url, file),
+                output_path=Path(".")
+            )
+
+            extract([downloaded_file], Path("."))
+        fpy_files = list(Path('.').rglob(details["nfy_files"]))
+
+    # check files exist
+    for flist, ftype in [(decay_files, "decay"), (neutron_files, "neutron"),
+                         (fpy_files, "neutron fission product yield")]:
+        if not flist:
+            raise IOError(f"No {ftype} endf files found in {endf_files_dir}")
+
+    chain = openmc.deplete.Chain.from_endf(
+        decay_files=decay_files,
+        fpy_files=fpy_files,
+        neutron_files=neutron_files,
+        reactions=list(openmc.deplete.chain.REACTIONS.keys())
+    )
+
+    if args.destination is None:
+        args.destination = f'chain_{library_name}_{args.release}.xml'
+    chain.export_to_xml(args.destination)
+    print(f'Chain file written to {args.destination}')
+
+
+if __name__ == '__main__':
+    main()

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/generate/generate_jendl.py

@@ -47,6 +47,9 @@ parser.add_argument('--cleanup', action='store_true',
 parser.add_argument('--no-cleanup', dest='cleanup', action='store_false',
                     help="Do not remove download directories when data has "
                     "been processed")
+parser.add_argument('--temperatures', type=float,
+                    default=[250.0, 293.6, 600.0, 900.0, 1200.0, 2500.0],
+                    help="Temperatures in Kelvin", nargs='+')
 parser.set_defaults(download=True, extract=True, cleanup=False)
 args = parser.parse_args()
 
@@ -85,10 +88,15 @@ def main():
     # EXTRACT FILES FROM TGZ
     if args.extract:
         extract(
-            compressed_files=[download_path/ f for f in details['compressed_files']],
+            compressed_files=[download_path / f for f in details['compressed_files']],
             extraction_dir=endf_files_dir,
             del_compressed_file=args.cleanup
         )
+    for erratum in details["errata"]:
+        files = Path('.').rglob(erratum)
+        for p in files:
+            p.rename((endf_files_dir / details["endf_files"]).parent / p.name)
+            
 
     # ==============================================================================
     # GENERATE HDF5 LIBRARY -- NEUTRON FILES
@@ -104,7 +112,7 @@ def main():
     with Pool() as pool:
         results = []
         for filename in sorted(neutron_files):
-            func_args = (filename, args.destination, args.libver)
+            func_args = (filename, args.destination, args.libver, args.temperatures)
             r = pool.apply_async(process_neutron, func_args)
             results.append(r)
 

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/urls.py

@@ -459,8 +459,12 @@ all_release_details = {
             'neutron': {
                 'endf':{
                     'base_url': 'https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/',
-                    'compressed_files': ['jendl5-n.tar.gz'],
+                    'compressed_files': ['jendl5-n.tar.gz', 'jendl5-n_upd1.tar.gz',
+                                         'jendl5-n_upd6.tar.gz', 'jendl5-n_upd7.tar.gz',
+                                         'jendl5-n_upd10.tar.gz', 'jendl5-n_upd11.tar.gz',
+                                         'jendl5-n_upd12.tar.gz'],
                     'endf_files': 'jendl5-n/*.dat',
+                    'errata': ['jendl5-n_upd1/*.dat', 'jendl-n_upd6/*.dat', '*.dat'],
                     'metastables': 'jendl5-n/*m1.dat',
                     'compressed_file_size': 4.1,
                     'uncompressed_file_size': 16

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/urls_chain.py

@@ -70,5 +70,28 @@ all_decay_release_details = {
                 'compressed_files': ['TENDL-n.tgz'],
             }
         }
+    },
+    'jendl': {
+        '5.0': {
+            'neutron': {
+                'base_url': 'https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/',
+                'compressed_files': ['jendl5-n.tar.gz', 'jendl5-n_upd1.tar.gz',
+                                        'jendl5-n_upd6.tar.gz', 'jendl5-n_upd7.tar.gz',
+                                        'jendl5-n_upd10.tar.gz', 'jendl5-n_upd11.tar.gz',
+                                        'jendl5-n_upd12.tar.gz'],
+                'endf_files': 'jendl5-n/*.dat',
+                'errata': ['jendl5-n_upd1/*.dat', 'jendl-n_upd6/*.dat', '*.dat'],
+            },
+            'decay': {
+                'base_url': ['https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/'],
+                'compressed_files': ['jendl5-dec_upd5.tar.gz'],
+                'decay_files': 'jendl5-dec_upd5/*.dat' 
+            },
+            'nfy': {
+                'base_url': ['https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/'],
+                'compressed_files': ['jendl5-fpy_upd8.tar.gz'],
+                'nfy_files': 'jendl5-fpy_upd8/*.dat'
+            }       
+        }
     }
 }

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data/utils.py

@@ -97,13 +97,14 @@ def extract(
     extraction_dir : str
         The directory to extract the files to.
     del_compressed_file : bool
-        Wheather the compressed file should be deleted (True) or not (False)
+        Whether the compressed file should be deleted (True) or not (False)
     verbose : bool
         Controls the printing to terminal, if True filenames of the extracted
         files will be printed.
     """
     Path.mkdir(extraction_dir, parents=True, exist_ok=True)
 
+    print(f'Extracting {compressed_files} to {extraction_dir}')
     if not isinstance(compressed_files, Iterable):
         compressed_files = [compressed_files]
 

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: openmc_data
-Version: 2.2.8
+Version: 2.2.10
 Summary: A Python package containing a collection of scripts for producing and downloading data for OpenMC
 Author-email: Jonathan Shimwell <mail@jshimwell.com>
 License: Copyright (c) 2019-2022 UChicago Argonne LLC and contributors
@@ -37,20 +37,14 @@ Requires-Dist: pytest; extra == "tests"
 Requires-Dist: requests; extra == "tests"
 
 [![test_urls](https://github.com/shimwell/data/actions/workflows/test_urls.yml/badge.svg)](https://github.com/shimwell/data/actions/workflows/test_urls.yml)
-
 [![test_package](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml)
-
 [![test_convert_scripts](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml)
 
 
-# OpenMC Data Scripts
-
-This repository contains a collection of scripts for generating HDF5 data
-libraries and xml chain files that can be used with OpenMC. Some of these
-scripts convert existing ACE libraries (such as those produced by LANL) whereas
-generate scripts use NJOY to process ENDF files directly.
+# OpenMC Data
 
-Another source of data libraries for OpenMC is the [Windowed Multipole Library](https://github.com/mit-crpg/WMP_Library) repository which enables on-the-fly Doppler broadening to an arbitrary temperature.
+Aims to facilitate the use of different nuclear data libraries with OpenMC by
+providing command line tools that process and download nuclear data automatically.
 
 # Prerequisites
 
@@ -58,7 +52,7 @@ You should have already installed OpenMC, see the [docs](https://docs.openmc.org
 
 # Installation
 
-Currently the package can be installed from this temporary repository.
+The package is distributed on [PYPI](https://pypi.org/project/openmc-data/) and can be installed with pip.
 
 ```bash
 pip install openmc_data
@@ -75,7 +69,7 @@ For example:
 
 ```convert_endf --help```
 
-Some scripts (mainly the generate scripts) require NJOY to be installed and
+Some scripts (mainly the generate scripts) require [NJOY](https://github.com/njoy/NJOY2016) to be installed and
 added to your path.
 
 A few categories of scripts are available:
@@ -149,8 +143,9 @@ A few categories of scripts are available:
 |-|-|-|
 |generate_endf_chain | ENDF/B | VII.1<br>VIII.0  |
 |generate_jeff_chain | JEFF | 3.3  |
-|generate_serpent_fissq | |  |
+|generate_jendl_chain | JENDL | 5.0 |
 |generate_tendl_chain | TENDL | 2019<br>2021 |
+|generate_serpent_fissq | |  |
 |generate_endf71_chain_casl | ENDF/B |  |
 
 ### Download chain files

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data.egg-info/SOURCES.txt

@@ -47,6 +47,7 @@ src/openmc_data/depletion/chain_endfb71_sfr.xml
 src/openmc_data/depletion/generate_endf71_chain_casl.py
 src/openmc_data/depletion/generate_endf_chain.py
 src/openmc_data/depletion/generate_jeff_chain.py
+src/openmc_data/depletion/generate_jendl_chain.py
 src/openmc_data/depletion/generate_serpent_fissq.py
 src/openmc_data/depletion/generate_tendl_chain.py
 src/openmc_data/depletion/reduce_chain.py

{openmc_data-2.2.8 → openmc_data-2.2.10}/src/openmc_data.egg-info/entry_points.txt

@@ -21,6 +21,7 @@ generate_fendl = openmc_data.generate.generate_fendl:main
 generate_jeff33 = openmc_data.generate.generate_jeff33:main
 generate_jeff_chain = openmc_data.depletion.generate_jeff_chain:main
 generate_jendl = openmc_data.generate.generate_jendl:main
+generate_jendl_chain = openmc_data.depletion.generate_jendl_chain:main
 generate_serpent_fissq = openmc_data.depletion.generate_serpent_fissq:main
 generate_tendl_chain = openmc_data.depletion.generate_tendl_chain:main
 make_compton = openmc_data.other.make_compton:main