Added JENDL nuclear data

README.md

@@ -2,7 +2,7 @@
 
 This repository contains a collection of scripts for generating HDF5 data
 libraries that can be used with OpenMC. Some of these scripts convert existing
-ACE libraries (such as those produced by LANL) whereas others use NJOY to
+ACE libraries (such as those produced by LANL) whereas generate scripts use NJOY to
 process ENDF files directly. Note that unless you are interested in making a
 customized library, you can find pregenerated HDF5 libraries at
 https://openmc.mcs.anl.gov.

convert_fendl.py

@@ -1,21 +1,16 @@
 #!/usr/bin/env python3
 
-import os
-from collections import defaultdict
-import sys
-import tarfile
-import zipfile
-import glob
 import argparse
+import glob
+import os
 import ssl
 import subprocess
-from string import digits
-from urllib.request import urlopen, Request
+import sys
+import zipfile
 
 import openmc.data
 from openmc._utils import download
 
-
 description = """
 Download FENDL 3.1d or FENDL 3.1c ACE data from the IAEA and convert it to a HDF5 library for
 use with OpenMC.
@@ -49,7 +44,7 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
 library_name = 'fendl'
 ace_files_dir = '-'.join([library_name, args.release, 'ace'])
 # the destination is decided after the release is know to avoid putting the release in a folder with a misleading name
-if args.destination == None:
+if args.destination is None:
     args.destination = '-'.join([library_name, args.release, 'hdf5'])
 
 # This dictionary contains all the unique information about each release. This can be exstened to accommodated new releases
@@ -82,8 +77,6 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
 if response.lower().startswith('n'):
     sys.exit()
 
-block_size = 16384
-
 # ==============================================================================
 # DOWNLOAD FILES FROM IAEA SITE
 

convert_jeff32.py

@@ -1,17 +1,16 @@
 #!/usr/bin/env python3
 
+import argparse
+import glob
 import os
-from collections import defaultdict
 import sys
 import tarfile
 import zipfile
-import glob
-import argparse
+from collections import defaultdict
 from string import digits
-from urllib.request import urlopen
 
 import openmc.data
-
+from openmc._utils import download
 
 description = """
 Download JEFF 3.2 ACE data from OECD/NEA and convert it to a multi-temperature
@@ -64,47 +63,15 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
          'JEFF32-ACE-1800K.tar.gz',
          'TSLs.tar.gz']
 
-block_size = 16384
-
 # ==============================================================================
 # DOWNLOAD FILES FROM OECD SITE
 
 files_complete = []
 for f in files:
     # Establish connection to URL
     url = base_url + f
-    req = urlopen(url)
-
-    # Get file size from header
-    if sys.version_info[0] < 3:
-        file_size = int(req.info().getheaders('Content-Length')[0])
-    else:
-        file_size = req.length
-    downloaded = 0
-
-    # Check if file already downloaded
-    if os.path.exists(f):
-        if os.path.getsize(f) == file_size:
-            print('Skipping {}, already downloaded'.format(f))
-            files_complete.append(f)
-            continue
-        else:
-            overwrite = input('Overwrite {}? ([y]/n) '.format(f))
-            if overwrite.lower().startswith('n'):
-                continue
-
-    # Copy file to disk
-    print('Downloading {}... '.format(f), end='')
-    with open(f, 'wb') as fh:
-        while True:
-            chunk = req.read(block_size)
-            if not chunk: break
-            fh.write(chunk)
-            downloaded += len(chunk)
-            status = '{:10}  [{:3.2f}%]'.format(downloaded, downloaded * 100. / file_size)
-            print(status + chr(8)*len(status), end='')
-        print('')
-        files_complete.append(f)
+    downloaded_file = download(url)
+    files_complete.append(f)
 
 # ==============================================================================
 # EXTRACT FILES FROM TGZ

convert_nndc71.py

@@ -6,17 +6,17 @@
 used for OpenMC's regression test suite.
 """
 
+import argparse
+import glob
+import hashlib
 import os
 import shutil
 import subprocess
 import sys
 import tarfile
-import glob
-import hashlib
-import argparse
-from urllib.request import urlopen
 
 import openmc.data
+from openmc._utils import download
 
 
 class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
@@ -42,7 +42,6 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
          'ENDF-B-VII.1-tsl.tar.gz']
 checksums = ['9729a17eb62b75f285d8a7628ace1449',
              'e17d827c92940a30f22f096d910ea186']
-block_size = 16384
 
 # ==============================================================================
 # DOWNLOAD FILES FROM NNDC SITE
@@ -51,36 +50,8 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
 for f in files:
     # Establish connection to URL
     url = base_url + f
-    req = urlopen(url)
-
-    # Get file size from header
-    file_size = req.length
-    downloaded = 0
-
-    # Check if file already downloaded
-    if os.path.exists(f):
-        if os.path.getsize(f) == file_size:
-            print('Skipping ' + f)
-            files_complete.append(f)
-            continue
-        else:
-            overwrite = input('Overwrite {}? ([y]/n) '.format(f))
-            if overwrite.lower().startswith('n'):
-                continue
-
-    # Copy file to disk
-    print('Downloading {}... '.format(f), end='')
-    with open(f, 'wb') as fh:
-        while True:
-            chunk = req.read(block_size)
-            if not chunk: break
-            fh.write(chunk)
-            downloaded += len(chunk)
-            status = '{0:10}  [{1:3.2f}%]'.format(
-                downloaded, downloaded * 100. / file_size)
-            print(status + chr(8)*len(status), end='')
-        print('')
-        files_complete.append(f)
+    downloaded_file = download(url)
+    files_complete.append(f)
 
 # ==============================================================================
 # VERIFY MD5 CHECKSUMS

convert_tendl.py

@@ -1,19 +1,14 @@
 #!/usr/bin/env python3
 
+import argparse
+import glob
 import os
-from collections import defaultdict
 import sys
 import tarfile
-import zipfile
-import glob
-import argparse
-from string import digits
-from urllib.request import urlopen
 
 import openmc.data
 from openmc._utils import download
 
-
 description = """
 Download TENDL 2017 or TENDL 2015 ACE data from PSI and convert it to a HDF5 library for
 use with OpenMC.
@@ -48,7 +43,7 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
 library_name = 'tendl' #this could be added as an argument to allow different libraries to be downloaded
 ace_files_dir = '-'.join([library_name, args.release, 'ace'])
 # the destination is decided after the release is know to avoid putting the release in a folder with a misleading name
-if args.destination == None:
+if args.destination is None:
     args.destination = '-'.join([library_name, args.release, 'hdf5'])
 
 # This dictionary contains all the unique information about each release. This can be exstened to accommodated new releases
@@ -83,8 +78,6 @@ class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
 if response.lower().startswith('n'):
     sys.exit()
 
-block_size = 16384
-
 # ==============================================================================
 # DOWNLOAD FILES FROM WEBSITE
 

download_all.sh

@@ -0,0 +1,6 @@
+python3 data/convert_fendl.py
+python3 data/convert_jeff32.py
+python3 data/convert_nndc71.py
+python3 data/convert_tendl.py
+python3 data/generate_endf71.py
+python3 data/generate_jendl.py

generate_endf71.py

@@ -1,21 +1,20 @@
 #!/usr/bin/env python3
 
 import argparse
-from multiprocessing import Pool
 import os
-from pathlib import Path
 import shutil
 import sys
 import tarfile
 import tempfile
-from urllib.parse import urljoin
 import warnings
 import zipfile
+from multiprocessing import Pool
+from pathlib import Path
+from urllib.parse import urljoin
 
 import openmc.data
 from openmc._utils import download
 
-
 # Make sure Python version is sufficient
 assert sys.version_info >= (3, 6), "Python 3.6+ is required"
 

generate_jendl.py

@@ -0,0 +1,125 @@
+#!/usr/bin/env python3
+
+import argparse
+import glob
+import os
+import sys
+import tarfile
+
+import openmc.data
+from openmc._utils import download
+
+description = """
+Download JENDL 4.0 data from JAEA and convert it to a HDF5 library for
+use with OpenMC.
+
+"""
+
+
+class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
+                      argparse.RawDescriptionHelpFormatter):
+    pass
+
+
+parser = argparse.ArgumentParser(
+    description=description,
+    formatter_class=CustomFormatter
+)
+parser.add_argument('-b', '--batch', action='store_true',
+                    help='supresses standard in')
+parser.add_argument('-d', '--destination', default=None,
+                    help='Directory to create new library in')
+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=['4.0'],
+                    default='4.0', help="The nuclear data library release version. "
+                    "The only option currently supported is 4.0")
+args = parser.parse_args()
+
+
+
+library_name = 'jendl' #this could be added as an argument to allow different libraries to be downloaded
+endf_files_dir = '-'.join([library_name, args.release, 'endf'])
+# 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 = '-'.join([library_name, args.release, 'hdf5'])
+
+# This dictionary contains all the unique information about each release. This can be exstened to accommodated new releases
+release_details = {
+    '4.0': {
+        'base_url': 'https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/',
+        'files': ['jendl40-or-up_20160106.tar.gz'],
+        'neutron_files': os.path.join(endf_files_dir, 'jendl40-or-up_20160106', '*.dat'),
+        'metastables': os.path.join(endf_files_dir, 'jendl40-or-up_20160106', '*m.dat'),
+        'compressed_file_size': '0.2 GB',
+        'uncompressed_file_size': '2 GB'
+    }
+}
+
+download_warning = """
+WARNING: This script will download {} of data.
+Extracting and processing the data requires {} of additional free disk space.
+
+Are you sure you want to continue? ([y]/n)
+""".format(release_details[args.release]['compressed_file_size'],
+           release_details[args.release]['uncompressed_file_size'])
+
+response = input(download_warning) if not args.batch else 'y'
+if response.lower().startswith('n'):
+    sys.exit()
+
+# ==============================================================================
+# DOWNLOAD FILES FROM WEBSITE
+
+files_complete = []
+for f in release_details[args.release]['files']:
+    # Establish connection to URL
+    url = release_details[args.release]['base_url'] + f
+    downloaded_file = download(url)
+    files_complete.append(downloaded_file)
+
+# ==============================================================================
+# EXTRACT FILES FROM TGZ
+
+for f in release_details[args.release]['files']:
+    if f not in files_complete:
+        continue
+
+    # Extract files
+
+    suffix = ''
+    with tarfile.open(f, 'r') as tgz:
+        print('Extracting {0}...'.format(f))
+        tgz.extractall(path=os.path.join(endf_files_dir, suffix))
+
+
+# ==============================================================================
+# GENERATE HDF5 LIBRARY -- NEUTRON FILES
+
+# Get a list of all ACE files
+neutron_files = glob.glob(release_details[args.release]['neutron_files'])
+
+# Create output directory if it doesn't exist
+if not os.path.isdir(args.destination):
+    os.mkdir(args.destination)
+
+library = openmc.data.DataLibrary()
+
+for filename in sorted(neutron_files):
+
+    print('Converting: ' + filename)
+    data = openmc.data.IncidentNeutron.from_njoy(filename)
+
+    # Export HDF5 file
+    h5_file = os.path.join(args.destination, data.name + '.h5')
+    print('Writing {}...'.format(h5_file))
+    data.export_to_hdf5(h5_file, 'w', libver=args.libver)
+
+    # Register with library
+    library.register_file(h5_file)
+
+# Write cross_sections.xml
+libpath = os.path.join(args.destination, 'cross_sections.xml')
+library.export_to_xml(libpath)