Merge pull request #18 from openmc-data-storage/adding-tendls

added tendl 2023 generate script

Author: shimwell

README.md

@@ -73,6 +73,7 @@ A few categories of scripts are available:
 | generate_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
 | generate_fendl | FENDL | 3.2c<br>3.2b<br>3.2a<br>3.2<br>3.1d<br>3.1a<br>3.0 | |
 | generate_jendl | JENDL | 4.0<br>5.0 | |
+| generate_tendl | TENDL | 2023 | |
 
 
 ### Download cross sections

pyproject.toml

@@ -59,6 +59,7 @@ generate_endf = "openmc_data.generate.generate_endf:main"
 generate_jeff33 = "openmc_data.generate.generate_jeff33:main"
 generate_jendl = "openmc_data.generate.generate_jendl:main"
 generate_fendl = "openmc_data.generate.generate_fendl:main"
+generate_tendl = "openmc_data.generate.generate_tendl:main"
 
 generate_endf71_chain_casl = "openmc_data.depletion.generate_endf71_chain_casl:main"
 generate_endf_chain = "openmc_data.depletion.generate_endf_chain:main"

src/openmc_data/generate/generate_tendl.py

@@ -0,0 +1,124 @@
+#!/usr/bin/env python3
+
+"""
+Download TENDL data from PSI and convert it to a HDF5 library for
+use with OpenMC.
+"""
+
+import argparse
+import ssl
+from multiprocessing import Pool
+from pathlib import Path
+from urllib.parse import urljoin
+
+import openmc.data
+from openmc_data import download, extract, process_neutron, state_download_size, all_release_details
+
+
+class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
+                      argparse.RawDescriptionHelpFormatter):
+    pass
+
+
+parser = argparse.ArgumentParser(
+    description=__doc__,
+    formatter_class=CustomFormatter
+)
+parser.add_argument('-d', '--destination', type=Path, default=None,
+                    help='Directory to create new library in')
+parser.add_argument('--download', action='store_true',
+                    help='Download files')
+parser.add_argument('--no-download', dest='download', action='store_false',
+                    help='Do not download files')
+parser.add_argument('--extract', action='store_true',
+                    help='Extract tar/zip files')
+parser.add_argument('--no-extract', dest='extract', action='store_false',
+                    help='Do not extract tar/zip files')
+parser.add_argument('--libver', choices=['earliest', 'latest'],
+                    default='latest', help="Output HDF5 versioning. Use "
+                    "'earliest' for backwards compatibility or 'latest' for "
+                    "performance")
+parser.add_argument('-r', '--release', choices=["2023"], default="2023",
+                    help="The nuclear data library release version. "
+                    "The options currently supported are 2023")
+parser.add_argument('--cleanup', action='store_true',
+                    help="Remove download directories when data has "
+                    "been processed")
+parser.add_argument('--no-cleanup', dest='cleanup', action='store_false',
+                    help="Do not remove download directories when data has "
+                    "been processed")
+parser.set_defaults(download=True, extract=True, cleanup=False)
+args = parser.parse_args()
+
+
+def main():
+
+    library_name = 'tendl'
+
+    cwd = Path.cwd()
+
+    endf_files_dir = cwd.joinpath('-'.join([library_name, args.release, 'endf']))
+    download_path = cwd.joinpath('-'.join([library_name, args.release, 'download']))
+    # the destination is decided after the release is known
+    # to avoid putting the release in a folder with a misleading name
+    if args.destination is None:
+        args.destination = Path('-'.join([library_name, args.release, 'hdf5']))
+
+    # This dictionary contains all the unique information about each release.
+    # This can be exstened to accommodated new releases
+    details = all_release_details[library_name][args.release]['neutron']['endf']
+
+    # ==============================================================================
+    # DOWNLOAD FILES FROM WEBSITE
+
+    if args.download:
+        state_download_size(details['compressed_file_size'], details['uncompressed_file_size'], 'GB')
+        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,
+                as_browser=True
+            )
+
+    # ==============================================================================
+    # EXTRACT FILES FROM TGZ
+    if args.extract:
+        extract(
+            compressed_files=[download_path/ f for f in details['compressed_files']],
+            extraction_dir=endf_files_dir,
+            del_compressed_file=args.cleanup
+        )
+
+    # ==============================================================================
+    # GENERATE HDF5 LIBRARY -- NEUTRON FILES
+
+    # Get a list of all ENDF files
+    neutron_files = endf_files_dir.glob('*.tendl')
+
+    # Create output directory if it doesn't exist
+    args.destination.mkdir(parents=True, exist_ok=True)
+
+    library = openmc.data.DataLibrary()
+
+    with Pool() as pool:
+        results = []
+        for filename in sorted(neutron_files):
+            func_args = (filename, args.destination, args.libver)
+            r = pool.apply_async(process_neutron, func_args)
+            results.append(r)
+
+        for r in results:
+            r.wait()
+
+    # Register with library
+    for p in sorted((args.destination).glob('*.h5')):
+        library.register_file(p)
+
+    # Write cross_sections.xml
+    library.export_to_xml(args.destination / 'cross_sections.xml')
+
+
+if __name__ == '__main__':
+    main()

src/openmc_data/urls.py

@@ -48,6 +48,18 @@
                 }
             }
         },
+        "2023": {
+            "neutron": {
+                "endf": {
+                    "base_url": "https://tendl.web.psi.ch/tendl_2023/tar_files/",
+                    "compressed_files": ["TENDL-n.2024new.tgz"],
+                    "neutron_files": "tendl24c/*",
+                    "metastables": "tendl24c/*m",
+                    "compressed_file_size": 3.1,
+                    "uncompressed_file_size": 20,
+                }
+            }
+        },
     },
     "fendl": {
         "3.2c": {