openmc-data 0.1.3__tar.gz → 0.2.0__tar.gz

{openmc_data-0.1.3 → openmc_data-0.2.0}/.github/workflows/python-publish.yml

@@ -19,9 +19,9 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v3
     - name: Set up Python
-      uses: actions/setup-python@v2
+      uses: actions/setup-python@v3
       with:
         python-version: '3.x'
 

{openmc_data-0.1.3 → openmc_data-0.2.0}/.github/workflows/test_package.yml

@@ -46,7 +46,7 @@ jobs:
           convert_lib80x --help
           convert_mcnp70 --help
           convert_mcnp71 --help
-          convert_nndc71 --help
+          convert_endf --help
           convert_tendl --help
 
       - name: Test generate scripts exist
@@ -58,11 +58,11 @@ jobs:
       
       - name: Test download h5 scripts exist
         run: |
-          download_nndc --help
+          download_endf --help
 
       - name: Test download chain files scripts exist
         run: |
-          download_nndc_chain --help
+          download_endf_chain --help
    
       - name: Test other scripts exist
         run: |

{openmc_data-0.1.3 → openmc_data-0.2.0}/.github/workflows/test_processing.yml

@@ -72,11 +72,11 @@ jobs:
           echo "convert_jeff33.py file has been modified."
           convert_jeff33 -r 3.3 -t 293 --cleanup
 
-      - name: test default convert_nndc71
-        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/convert/convert_nndc71.py')
+      - name: test default convert_endf
+        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/convert/convert_endf.py')
         run: |
-          echo "convert_nndc71.py file has been modified."
-          convert_nndc71 --cleanup
+          echo "convert_endf.py file has been modified."
+          convert_endf --cleanup
 
       - name: test default convert_tendl
         if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/convert/convert_tendl.py')
@@ -91,15 +91,15 @@ jobs:
           convert_tendl_rand --nuclides O16 --cleanup
 
       # download scripts
-      - name: test default download_nndc
-        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/download/download_nndc.py')
+      - name: test default download_endf
+        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/download/download_endf.py')
         run: |
-          echo "download_nndc.py file has been modified."
-          download_nndc
+          echo "download_endf.py file has been modified."
+          download_endf
 
-      - name: test default download_nndc_chain
-        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/download/download_nndc_chain.py')
+      - name: test default download_endf_chain
+        if: contains(steps.changed-files-specific.outputs.modified_files, 'src/openmc_data/download/download_endf_chain.py')
         run: |
-          echo "download_nndc_chain.py file has been modified."
-          download_nndc_chain -r b7.1
-          download_nndc_chain -r b8.0
+          echo "download_endf_chain.py file has been modified."
+          download_endf_chain -r b7.1
+          download_endf_chain -r b8.0

{openmc_data-0.1.3 → openmc_data-0.2.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: openmc_data
-Version: 0.1.3
+Version: 0.2.0
 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
@@ -61,8 +61,6 @@ Currently the package can be installed from this temporary repository.
 pip install openmc_data
 ```
 
-In the future pip installing from PyPi or Conda could be provided
-
 # Usage
 
 Once installed several scripts are available in your terminal that are able to
@@ -72,7 +70,7 @@ The scripts accept input arguments, to find out the input arguments available
 for a particular script run the script name with ```--help``` after the name.
 For example:
 
-```convert_nndc71 --help```
+```convert_endf --help```
 
 Some scripts (mainly the generate scripts) require NJOY to be installed and
 added to your path.
@@ -101,7 +99,7 @@ A few categories of scripts are available:
 |-|-|-|-|
 |convert_mcnp70 | ENDF/B | VII.0 | LANL |
 |convert_mcnp71 | ENDF/B | VII.1 | LANL |
-|convert_nndc | ENDF/B | VII.1 | NNDC |
+|convert_endf | ENDF/B | VII.1 | NNDC |
 |convert_lib80x | ENDF/B | VIII.0 | LANL |
 |convert_fendl | FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2|
 |convert_jeff32 | JEFF | 3.2 |
@@ -114,13 +112,13 @@ A few categories of scripts are available:
 |-|-|-|-|
 | generate_cendl | CENDL | 3.1<br>3.2 |  |
 | generate_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
-| generate_jendl | JENDL | 4.0 | |
+| generate_jendl | JENDL | 4.0<br>5.0 | |
 
 ### Download cross sections
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-| download_nndc | ENDF/B | VII.1<br>VIII.0  | NNDC |
+| download_endf | ENDF/B | VII.1<br>VIII.0  | NNDC |
 
 <!-- | Script name | Library | Release | Processed by | Download available | Downloads ACE files and convert to HDF5 | Downloads ENDF files and convert to HDF5 | Convert local ACE files |
 |-|-|-|-|-|-|-|-|
@@ -128,7 +126,7 @@ A few categories of scripts are available:
 |convert_mcnp70| ENDF/B | VII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/t25g7g6v0emygu50lr2ych1cf6o7454b.xz) |  |  | :heavy_check_mark: |
 |convert_mcnp71| ENDF/B | VII.1 | LANL | [openmc.org](https://anl.box.com/shared/static/d359skd2w6wrm86om2997a1bxgigc8pu.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) |  | :heavy_check_mark: |  |
-|convert_nndc71| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
+|convert_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
 |convert_lib80x| ENDF/B | VIII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/nd7p4jherolkx4b1rfaw5uqp58nxtstr.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VIII.0 | NNDC | [openmc.org](https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz) |  | :heavy_check_mark: |  |
 |convert_fendl| FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2 |  | [openmc.org 3.2](https://anl.box.com/shared/static/3cb7jetw7tmxaw6nvn77x6c578jnm2ey.xz) | :heavy_check_mark: |  |  |
@@ -152,7 +150,7 @@ A few categories of scripts are available:
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-|download_nndc_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
+|download_endf_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
 
 <!-- | Sctipt name | Library | Release | Download available | Download ENDF files and generates XML chain files |
 |-|-|-|-|-|

{openmc_data-0.1.3 → openmc_data-0.2.0}/README.md

@@ -26,8 +26,6 @@ Currently the package can be installed from this temporary repository.
 pip install openmc_data
 ```
 
-In the future pip installing from PyPi or Conda could be provided
-
 # Usage
 
 Once installed several scripts are available in your terminal that are able to
@@ -37,7 +35,7 @@ The scripts accept input arguments, to find out the input arguments available
 for a particular script run the script name with ```--help``` after the name.
 For example:
 
-```convert_nndc71 --help```
+```convert_endf --help```
 
 Some scripts (mainly the generate scripts) require NJOY to be installed and
 added to your path.
@@ -66,7 +64,7 @@ A few categories of scripts are available:
 |-|-|-|-|
 |convert_mcnp70 | ENDF/B | VII.0 | LANL |
 |convert_mcnp71 | ENDF/B | VII.1 | LANL |
-|convert_nndc | ENDF/B | VII.1 | NNDC |
+|convert_endf | ENDF/B | VII.1 | NNDC |
 |convert_lib80x | ENDF/B | VIII.0 | LANL |
 |convert_fendl | FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2|
 |convert_jeff32 | JEFF | 3.2 |
@@ -79,13 +77,13 @@ A few categories of scripts are available:
 |-|-|-|-|
 | generate_cendl | CENDL | 3.1<br>3.2 |  |
 | generate_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
-| generate_jendl | JENDL | 4.0 | |
+| generate_jendl | JENDL | 4.0<br>5.0 | |
 
 ### Download cross sections
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-| download_nndc | ENDF/B | VII.1<br>VIII.0  | NNDC |
+| download_endf | ENDF/B | VII.1<br>VIII.0  | NNDC |
 
 <!-- | Script name | Library | Release | Processed by | Download available | Downloads ACE files and convert to HDF5 | Downloads ENDF files and convert to HDF5 | Convert local ACE files |
 |-|-|-|-|-|-|-|-|
@@ -93,7 +91,7 @@ A few categories of scripts are available:
 |convert_mcnp70| ENDF/B | VII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/t25g7g6v0emygu50lr2ych1cf6o7454b.xz) |  |  | :heavy_check_mark: |
 |convert_mcnp71| ENDF/B | VII.1 | LANL | [openmc.org](https://anl.box.com/shared/static/d359skd2w6wrm86om2997a1bxgigc8pu.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) |  | :heavy_check_mark: |  |
-|convert_nndc71| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
+|convert_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
 |convert_lib80x| ENDF/B | VIII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/nd7p4jherolkx4b1rfaw5uqp58nxtstr.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VIII.0 | NNDC | [openmc.org](https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz) |  | :heavy_check_mark: |  |
 |convert_fendl| FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2 |  | [openmc.org 3.2](https://anl.box.com/shared/static/3cb7jetw7tmxaw6nvn77x6c578jnm2ey.xz) | :heavy_check_mark: |  |  |
@@ -117,7 +115,7 @@ A few categories of scripts are available:
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-|download_nndc_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
+|download_endf_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
 
 <!-- | Sctipt name | Library | Release | Download available | Download ENDF files and generates XML chain files |
 |-|-|-|-|-|

{openmc_data-0.1.3 → openmc_data-0.2.0}/pyproject.toml

@@ -51,7 +51,7 @@ convert_jeff33 = "openmc_data.convert.convert_jeff33:main"
 convert_lib80x = "openmc_data.convert.convert_lib80x:main"
 convert_mcnp70 = "openmc_data.convert.convert_mcnp70:main"
 convert_mcnp71 = "openmc_data.convert.convert_mcnp71:main"
-convert_nndc71 = "openmc_data.convert.convert_nndc71:main"
+convert_endf = "openmc_data.convert.convert_endf:main"
 convert_tendl = "openmc_data.convert.convert_tendl:main"
 generate_cendl = "openmc_data.generate.generate_cendl:main"
 generate_endf = "openmc_data.generate.generate_endf:main"
@@ -68,5 +68,5 @@ add_branching_ratios = "openmc_data.depletion.add_branching_ratios:main"
 combine_libraries = "openmc_data.other.combine_libraries:main"
 sample_sandy = "openmc_data.other.sample_sandy:main"
 reduce_chain = "openmc_data.depletion.reduce_chain:main"
-download_nndc = "openmc_data.download.download_nndc:main"
-download_nndc_chain = "openmc_data.download.download_nndc_chain:main"
+download_endf = "openmc_data.download.download_endf:main"
+download_endf_chain = "openmc_data.download.download_endf_chain:main"

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/__init__.py

@@ -2,3 +2,4 @@ from .utils import download, extract, process_neutron, process_thermal, state_do
 from .urls import all_release_details
 from .urls_h5 import all_h5_release_details
 from .urls_xml import all_chain_release_details
+from .urls_chain import all_decay_release_details

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/_version.py

@@ -1,4 +1,4 @@
 # file generated by setuptools_scm
 # don't change, don't track in version control
-__version__ = version = '0.1.3'
-__version_tuple__ = version_tuple = (0, 1, 3)
+__version__ = version = '0.2.0'
+__version_tuple__ = version_tuple = (0, 2, 0)

openmc_data-0.1.3/src/openmc_data/convert/convert_nndc71.py → openmc_data-0.2.0/src/openmc_data/convert/convert_endf.py

@@ -29,7 +29,7 @@ parser.add_argument(
     "-d",
     "--destination",
     type=Path,
-    default="nndc-b7.1-hdf5",
+    default="endf-b7.1-hdf5",
     help="Directory to create new library in",
 )
 parser.add_argument(
@@ -81,7 +81,7 @@ args = parser.parse_args()
 
 def main():
 
-    library_name = "nndc"
+    library_name = "endf"
     release = "b7.1"
 
     cwd = Path.cwd()

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/depletion/generate_endf_chain.py

@@ -8,15 +8,15 @@ 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 = ArgumentParser()
-parser.add_argument('-r', '--release', choices=['vii.1', 'viii.0'],
-                    default='viii.0', help="The nuclear data library release "
-                    "version. The currently supported options are vii.1, "
-                    "viii.0")
+parser.add_argument('-r', '--release', choices=['b7.1', 'b8.0'],
+                    default='b8.0', help="The nuclear data library release "
+                    "version. The currently supported options are n7.1, "
+                    "b8.0")
 parser.add_argument(
     "-d",
     "--destination",
@@ -43,39 +43,9 @@ def main():
 
     # This dictionary contains all the unique information about each release.
     # This can be extended to accommodated new releases
-    release_details = {
-        'vii.1': {
-            'neutron': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
-                'compressed_files': ['ENDF-B-VII.1-neutrons.zip'],
-            },
-            'decay': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
-                'compressed_files': ['ENDF-B-VII.1-decay.zip']
-            },
-            'nfy': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
-                'compressed_files': ['ENDF-B-VII.1-nfy.zip']
-            }
-        },
-        'viii.0': {
-            'neutron': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
-                'compressed_files': ['ENDF-B-VIII.0_neutrons.zip'],
-            },
-            'decay': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
-                'compressed_files': ['ENDF-B-VIII.0_decay.zip']
-            },
-            'nfy': {
-                'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
-                'compressed_files': ['ENDF-B-VIII.0_nfy.zip']
-            }
-        }
-    }
 
     for file_type, extract_dir in zip(['neutron', 'decay', 'nfy'], [neutron_dir, decay_dir, nfy_dir]):
-        details = release_details[args.release][file_type]
+        details = all_decay_release_details[library_name][args.release][file_type]
         for base_url, file in zip(details['base_url'], details['compressed_files']):
             downloaded_file = download(
                 url=urljoin(base_url, file),
@@ -107,5 +77,6 @@ def main():
     chain.export_to_xml(args.destination)
     print(f'Chain file written to {args.destination}')
 
+
 if __name__ == '__main__':
     main()

openmc_data-0.2.0/src/openmc_data/depletion/generate_tendl_chain.py

@@ -0,0 +1,170 @@
+#!/usr/bin/env python3
+
+"""
+Generate a depletion chain based on TENDL 2019 data. Note that TENDL 2019 does
+not contain any decay or fission product yield (FPY) sublibraries, so these must
+be borrowed from another library. The --lib flag for this script indicates what
+library should be used for decay and FPY evaluations and defaults to JEFF 3.3.
+"""
+
+import json
+from argparse import ArgumentParser
+from pathlib import Path
+from urllib.parse import urljoin
+import openmc_data
+
+import openmc.data
+import openmc.deplete as dep
+
+from openmc_data.utils import download, extract
+from openmc_data import all_decay_release_details
+
+# Parse command line arguments
+parser = ArgumentParser()
+parser.add_argument(
+    "--lib",
+    choices=("jeff33", "endf80"),
+    default="jeff33",
+    help="Library to use for decay and fission product yields",
+)
+parser.add_argument(
+    "-r",
+    "--release",
+    choices=["2015", "2017", "2019", "2021"],
+    default="2021",
+    help="The nuclear data library release "
+    "version. The currently supported options are 2019, "
+    "and 2021.",
+)
+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_tendl_{release}_{lib}.xml'",
+)
+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.set_defaults(extract=True)
+args = parser.parse_args()
+
+
+def fix_jeff33_nfy(path):
+    print(f"Fixing TPID in {path.name}...")
+    new_path = path.with_name(path.name + "_fixed")
+    if not new_path.exists():
+        with path.open("r") as f:
+            data = f.read()
+        with new_path.open("w") as f:
+            # Write missing TPID line
+            f.write(" " * 66 + "   1 0  0    0\n")
+            f.write(data)
+    return new_path
+
+
+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"]))
+
+    neutron_dir = endf_files_dir / "neutron"
+    decay_dir = endf_files_dir / "decay"
+    nfy_dir = endf_files_dir / "nfy"
+
+    # This dictionary contains all the unique information about each release.
+    # This can be extended to accommodated new releases
+    release_details = all_decay_release_details["tendl"][args.release]
+
+    # adds in either jeff or endf neutron fission yields and decay data
+    if args.lib == "jeff33":
+        release_details["decay"] = {
+            "base_url": "https://www.oecd-nea.org/dbdata/jeff/jeff33/downloads/",
+            "compressed_files": ["JEFF33-rdd.zip"],
+        }
+        release_details["nfy"] = {
+            "base_url": "https://www.oecd-nea.org/dbdata/jeff/jeff33/downloads/",
+            "compressed_files": ["JEFF33-nfy.asc"],
+        }
+    elif args.lib == "endf80":
+        release_details["decay"] = {
+            "base_url": "https://www.nndc.bnl.gov/endf-b8.0/zips/",
+            "compressed_files": ["ENDF-B-VIII.0_decay.zip"],
+        }
+        release_details["nfy"] = {
+            "base_url": "https://www.nndc.bnl.gov/endf-b8.0/zips/",
+            "compressed_files": ["ENDF-B-VIII.0_nfy.zip"],
+        }
+    else:
+        raise ValueError(
+            f"lib argument must be either jeff33 or endf80 and can not be {args.lib}"
+        )
+
+    # ==========================================================================
+    # Incident neutron data
+    for f in release_details["neutron"]["compressed_files"]:
+        downloaded_file = download(
+            url=urljoin(release_details["neutron"]["base_url"], f),
+            output_path=download_path,
+        )
+
+        extract(downloaded_file, neutron_dir)
+
+    neutron_files = [
+        p
+        for p in list(neutron_dir.rglob("*.tendl"))
+    ]
+    print(neutron_files)
+    # ==========================================================================
+    # Decay and fission product yield data
+
+    decay_zip = download(
+        urljoin(
+            release_details["decay"]["base_url"],
+            release_details["decay"]["compressed_files"][0],
+        ),
+        output_path=decay_dir,
+    )
+    nfy_zip = download(
+        urljoin(
+            release_details["nfy"]["base_url"],
+            release_details["nfy"]["compressed_files"][0],
+        ),
+        output_path=nfy_dir,
+    )
+
+    extract(decay_zip, decay_dir)
+
+    if args.lib == "jeff33":
+        nfy_file = nfy_zip  # file is already uncompressed
+        decay_files = list(decay_dir.glob("*.ASC"))
+        nfy_file_fixed = fix_jeff33_nfy(nfy_file)
+        nfy_files = openmc.data.endf.get_evaluations(nfy_file_fixed)
+
+    elif args.lib == "endf80":
+        decay_files = list(decay_dir.rglob("*.endf"))
+        extract(nfy_zip, nfy_dir)
+        nfy_files = list(nfy_dir.rglob("*.endf"))
+
+    chain = dep.Chain.from_endf(
+        decay_files, nfy_files, neutron_files, reactions=dep.chain.REACTIONS.keys()
+    )
+
+    if args.destination is None:
+        args.destination = f"chain_{library_name}_{args.release}_{args.lib}.xml"
+
+    chain.export_to_xml(args.destination)
+    print(f"Chain file written to {args.destination}")
+
+
+if __name__ == "__main__":
+    main()

openmc_data-0.1.3/src/openmc_data/download/download_nndc.py → openmc_data-0.2.0/src/openmc_data/download/download_endf.py

@@ -66,15 +66,15 @@ args = parser.parse_args()
 
 def main():
 
-    library_name = 'nndc'
+    library_name = 'endf'
     details = all_h5_release_details[library_name][args.release]["neutron-photon"]
 
-    cwd = Path.cwd()
-
-    download_path = cwd.joinpath("-".join([library_name, args.release, "download"]))
-
     if args.destination is None:
-        args.destination = Path("-".join([library_name, args.release, "hdf5"]))
+        download_path = Path("-".join([library_name, args.release, "download"]))
+        destination = Path("-".join([library_name, args.release, "hdf5"]))
+    else:
+        download_path = args.destination / Path("-".join([library_name, args.release, "download"]))
+        destination = args.destination / Path("-".join([library_name, args.release, "hdf5"]))
 
     if args.download:
         state_download_size(
@@ -92,7 +92,7 @@ def main():
             compressed_files=[
                 download_path / f for f in details["compressed_files"]
             ],
-            extraction_dir=args.destination,
+            extraction_dir=destination,
             del_compressed_file=args.cleanup,
         )
 

openmc_data-0.1.3/src/openmc_data/download/download_nndc_chain.py → openmc_data-0.2.0/src/openmc_data/download/download_endf_chain.py

@@ -49,7 +49,7 @@ args = parser.parse_args()
 
 def main():
 
-    library_name = 'nndc'
+    library_name = 'endf'
     details = all_chain_release_details[library_name][args.release]["chain"]
 
     if args.filename is None:

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/generate/generate_jendl.py

@@ -1,7 +1,7 @@
 #!/usr/bin/env python3
 
 """
-Download JENDL 4.0 data from JAEA and convert it to a HDF5 library for
+Download JENDL data from JAEA and convert it to a HDF5 library for
 use with OpenMC.
 """
 
@@ -38,9 +38,9 @@ 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',
+parser.add_argument('-r', '--release', choices=['4.0', '5.0'], default='4.0',
                     help="The nuclear data library release version. "
-                    "The only option currently supported is 4.0")
+                    "The options currently supported are 4.0 and 5.0")
 parser.add_argument('--cleanup', action='store_true',
                     help="Remove download directories when data has "
                     "been processed")
@@ -75,9 +75,11 @@ def main():
         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)
+            download(
+                urljoin(details['base_url'], f),
+                context=ssl._create_unverified_context(),
+                output_path=download_path
+            )
 
     # ==============================================================================
     # EXTRACT FILES FROM TGZ
@@ -88,7 +90,6 @@ def main():
             del_compressed_file=args.cleanup
         )
 
-
     # ==============================================================================
     # GENERATE HDF5 LIBRARY -- NEUTRON FILES
 
@@ -100,7 +101,6 @@ def main():
 
     library = openmc.data.DataLibrary()
 
-
     with Pool() as pool:
         results = []
         for filename in sorted(neutron_files):

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/other/sample_sandy.py

@@ -32,7 +32,7 @@ parser.add_argument("-n", "--nuclides", nargs="+",
 parser.add_argument("-d", "--destination", default=None, 
                     help="Directory to create new library in")
 parser.add_argument("-l", "--libdir", default=None, 
-                    help="Directory of endf library to sample eg. nndc-b7.1-endf folder")
+                    help="Directory of endf library to sample")
 parser.add_argument("-x", "--xlib", default=None, 
                     help="cross_section.xml library to add random evaluations to. Default is OPENMC_CROSS_SECTIONS")
 parser.add_argument("-s", "--samples", default=200, 
@@ -60,7 +60,7 @@ def main():
 
     libdir = args.libdir
     if libdir == None:
-        raise Exception("Directory of ENDF library required for sampling, eg. nndc-b7.1-endf folder. Use -l prefix to specify")
+        raise Exception("Directory of ENDF library required for sampling. Use -l prefix to specify")
     else:
         libdir = Path(libdir).resolve()
 

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/urls.py

@@ -205,7 +205,7 @@ all_release_details = {
             },
         },
     },
-    'nndc': {
+    'endf': {
         "b7.1": {
             "neutron": {
                 "base_url": "http://www.nndc.bnl.gov/endf-b7.1/aceFiles/",
@@ -318,6 +318,16 @@ all_release_details = {
                 'compressed_file_size': '0.2',
                 'uncompressed_file_size': '2'
             }
+        },
+        '5.0': {
+            'neutron': {
+                'base_url': 'https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/',
+                'compressed_files': ['jendl5-n.tar.gz'],
+                'endf_files': 'jendl5-n/*.dat',
+                'metastables': 'jendl5-n/*m1.dat',
+                'compressed_file_size': '4.1',
+                'uncompressed_file_size': '16'
+            }
         }
     }
 }

openmc_data-0.2.0/src/openmc_data/urls_chain.py

@@ -0,0 +1,58 @@
+all_decay_release_details = {
+    'endf': {
+            'b7.1': {
+                'neutron': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
+                    'compressed_files': ['ENDF-B-VII.1-neutrons.zip'],
+                },
+                'decay': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
+                    'compressed_files': ['ENDF-B-VII.1-decay.zip']
+                },
+                'nfy': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b7.1/zips/'],
+                    'compressed_files': ['ENDF-B-VII.1-nfy.zip']
+                }
+            },
+            'b8.0': {
+                'neutron': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
+                    'compressed_files': ['ENDF-B-VIII.0_neutrons.zip'],
+                },
+                'decay': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
+                    'compressed_files': ['ENDF-B-VIII.0_decay.zip']
+                },
+                'nfy': {
+                    'base_url': ['https://www.nndc.bnl.gov/endf-b8.0/zips/'],
+                    'compressed_files': ['ENDF-B-VIII.0_nfy.zip']
+                }
+            }
+        },
+    'tendl': {
+        '2015': {
+            'neutron':{
+                'base_url': 'https://tendl.web.psi.ch/tendl_2015/tar_files/',
+                'compressed_files': ['TENDL-n.tgz'],
+            }
+        },
+        '2017': {
+            'neutron':{
+                'base_url': 'https://tendl.web.psi.ch/tendl_2017/tar_files/',
+                'compressed_files': ['TENDL-n.tgz'],
+            }
+        },
+        '2019': {
+            'neutron':{
+                'base_url': 'https://tendl.web.psi.ch/tendl_2019/tar_files/',
+                'compressed_files': ['TENDL-n.tgz'],
+            }
+        },
+        '2021': {
+            'neutron':{
+                'base_url': 'https://tendl.web.psi.ch/tendl_2021/tar_files/',
+                'compressed_files': ['TENDL-n.tgz'],
+            }
+        }
+    }
+}

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/urls_h5.py

@@ -1,5 +1,5 @@
 all_h5_release_details = {
-    "nndc": {
+    "endf": {
         "b7.1": {
             "neutron-photon": {
                 "base_url": "https://anl.box.com/shared/static/",

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data/urls_xml.py

@@ -1,5 +1,5 @@
 all_chain_release_details = {
-    "nndc": {
+    "endf": {
         "b7.1": {
             "chain": {
                 "url": "https://github.com/openmc-data-storage/openmc_data/raw/main/src/openmc_data/depletion/chain_endf_vii.1.xml",

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: openmc-data
-Version: 0.1.3
+Version: 0.2.0
 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
@@ -61,8 +61,6 @@ Currently the package can be installed from this temporary repository.
 pip install openmc_data
 ```
 
-In the future pip installing from PyPi or Conda could be provided
-
 # Usage
 
 Once installed several scripts are available in your terminal that are able to
@@ -72,7 +70,7 @@ The scripts accept input arguments, to find out the input arguments available
 for a particular script run the script name with ```--help``` after the name.
 For example:
 
-```convert_nndc71 --help```
+```convert_endf --help```
 
 Some scripts (mainly the generate scripts) require NJOY to be installed and
 added to your path.
@@ -101,7 +99,7 @@ A few categories of scripts are available:
 |-|-|-|-|
 |convert_mcnp70 | ENDF/B | VII.0 | LANL |
 |convert_mcnp71 | ENDF/B | VII.1 | LANL |
-|convert_nndc | ENDF/B | VII.1 | NNDC |
+|convert_endf | ENDF/B | VII.1 | NNDC |
 |convert_lib80x | ENDF/B | VIII.0 | LANL |
 |convert_fendl | FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2|
 |convert_jeff32 | JEFF | 3.2 |
@@ -114,13 +112,13 @@ A few categories of scripts are available:
 |-|-|-|-|
 | generate_cendl | CENDL | 3.1<br>3.2 |  |
 | generate_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
-| generate_jendl | JENDL | 4.0 | |
+| generate_jendl | JENDL | 4.0<br>5.0 | |
 
 ### Download cross sections
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-| download_nndc | ENDF/B | VII.1<br>VIII.0  | NNDC |
+| download_endf | ENDF/B | VII.1<br>VIII.0  | NNDC |
 
 <!-- | Script name | Library | Release | Processed by | Download available | Downloads ACE files and convert to HDF5 | Downloads ENDF files and convert to HDF5 | Convert local ACE files |
 |-|-|-|-|-|-|-|-|
@@ -128,7 +126,7 @@ A few categories of scripts are available:
 |convert_mcnp70| ENDF/B | VII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/t25g7g6v0emygu50lr2ych1cf6o7454b.xz) |  |  | :heavy_check_mark: |
 |convert_mcnp71| ENDF/B | VII.1 | LANL | [openmc.org](https://anl.box.com/shared/static/d359skd2w6wrm86om2997a1bxgigc8pu.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) |  | :heavy_check_mark: |  |
-|convert_nndc71| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
+|convert_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: |  |
 |convert_lib80x| ENDF/B | VIII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/nd7p4jherolkx4b1rfaw5uqp58nxtstr.xz) |  |  | :heavy_check_mark: |
 |generate_endf| ENDF/B | VIII.0 | NNDC | [openmc.org](https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz) |  | :heavy_check_mark: |  |
 |convert_fendl| FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2 |  | [openmc.org 3.2](https://anl.box.com/shared/static/3cb7jetw7tmxaw6nvn77x6c578jnm2ey.xz) | :heavy_check_mark: |  |  |
@@ -152,7 +150,7 @@ A few categories of scripts are available:
 
 | Script name | Library | Release | Processed by |
 |-|-|-|-|
-|download_nndc_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
+|download_endf_chain | ENDF/B | VII.1<br>VIII.0 | NNDC |
 
 <!-- | Sctipt name | Library | Release | Download available | Download ENDF files and generates XML chain files |
 |-|-|-|-|-|

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data.egg-info/SOURCES.txt

@@ -9,6 +9,7 @@ pyproject.toml
 src/openmc_data/__init__.py
 src/openmc_data/_version.py
 src/openmc_data/urls.py
+src/openmc_data/urls_chain.py
 src/openmc_data/urls_h5.py
 src/openmc_data/urls_xml.py
 src/openmc_data/utils.py
@@ -19,13 +20,13 @@ src/openmc_data.egg-info/entry_points.txt
 src/openmc_data.egg-info/requires.txt
 src/openmc_data.egg-info/top_level.txt
 src/openmc_data/convert/__init__.py
+src/openmc_data/convert/convert_endf.py
 src/openmc_data/convert/convert_fendl.py
 src/openmc_data/convert/convert_jeff32.py
 src/openmc_data/convert/convert_jeff33.py
 src/openmc_data/convert/convert_lib80x.py
 src/openmc_data/convert/convert_mcnp70.py
 src/openmc_data/convert/convert_mcnp71.py
-src/openmc_data/convert/convert_nndc71.py
 src/openmc_data/convert/convert_tendl.py
 src/openmc_data/depletion/__init__.py
 src/openmc_data/depletion/add_branching_ratios.py
@@ -48,8 +49,8 @@ src/openmc_data/depletion/serpent_fissq.json
 src/openmc_data/depletion/tendl2019_nuclides.json
 src/openmc_data/depletion/tendl2021_nuclides.json
 src/openmc_data/download/__init__.py
-src/openmc_data/download/download_nndc.py
-src/openmc_data/download/download_nndc_chain.py
+src/openmc_data/download/download_endf.py
+src/openmc_data/download/download_endf_chain.py
 src/openmc_data/generate/__init__.py
 src/openmc_data/generate/generate_cendl.py
 src/openmc_data/generate/generate_endf.py

{openmc_data-0.1.3 → openmc_data-0.2.0}/src/openmc_data.egg-info/entry_points.txt

@@ -1,17 +1,17 @@
 [console_scripts]
 add_branching_ratios = openmc_data.depletion.add_branching_ratios:main
 combine_libraries = openmc_data.other.combine_libraries:main
+convert_endf = openmc_data.convert.convert_endf:main
 convert_fendl = openmc_data.convert.convert_fendl:main
 convert_jeff32 = openmc_data.convert.convert_jeff32:main
 convert_jeff33 = openmc_data.convert.convert_jeff33:main
 convert_lib80x = openmc_data.convert.convert_lib80x:main
 convert_mcnp70 = openmc_data.convert.convert_mcnp70:main
 convert_mcnp71 = openmc_data.convert.convert_mcnp71:main
-convert_nndc71 = openmc_data.convert.convert_nndc71:main
 convert_tendl = openmc_data.convert.convert_tendl:main
 convert_tendl_rand = openmc_data.other.convert_tendl_rand:main
-download_nndc = openmc_data.download.download_nndc:main
-download_nndc_chain = openmc_data.download.download_nndc_chain:main
+download_endf = openmc_data.download.download_endf:main
+download_endf_chain = openmc_data.download.download_endf_chain:main
 generate_cendl = openmc_data.generate.generate_cendl:main
 generate_endf = openmc_data.generate.generate_endf:main
 generate_endf71_chain_casl = openmc_data.depletion.generate_endf71_chain_casl:main

openmc_data-0.1.3/src/openmc_data/depletion/generate_tendl_chain.py

@@ -1,147 +0,0 @@
-#!/usr/bin/env python3
-
-"""
-Generate a depletion chain based on TENDL 2019 data. Note that TENDL 2019 does
-not contain any decay or fission product yield (FPY) sublibraries, so these must
-be borrowed from another library. The --lib flag for this script indicates what
-library should be used for decay and FPY evaluations and defaults to JEFF 3.3.
-"""
-
-import json
-import tarfile
-from argparse import ArgumentParser
-from pathlib import Path
-from urllib.parse import urljoin
-from zipfile import ZipFile
-import openmc_data
-
-import openmc.data
-import openmc.deplete as dep
-
-from openmc_data.utils import download, extract
-
-# Parse command line arguments
-parser = ArgumentParser()
-parser.add_argument('--lib', choices=('jeff33', 'endf80'), default='jeff33',
-                    help='Library to use for decay and fission product yields')
-parser.add_argument('-r', '--release', choices=['2019', '2021'],
-                    default='2021', help="The nuclear data library release "
-                    "version. The currently supported options are 2019, "
-                    "and 2021.")
-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_tendl_{release}_{lib}.xml'",
-)
-args = parser.parse_args()
-
-
-def fix_jeff33_nfy(path):
-    print(f'Fixing TPID in {path}...')
-    new_path = path.with_name(path.name + '_fixed')
-    if not new_path.exists():
-        with path.open('r') as f:
-            data = f.read()
-        with new_path.open('w') as f:
-            # Write missing TPID line
-            f.write(" "*66 + "   1 0  0    0\n")
-            f.write(data)
-    return new_path
-
-
-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']))
-
-    neutron_dir = endf_files_dir / "neutrons"
-    decay_dir = endf_files_dir / "decay"
-    nfy_dir = endf_files_dir / "nfy"
-
-    # This dictionary contains all the unique information about each release.
-    # This can be extended to accommodated new releases
-    release_details = {
-        '2019': {
-            'base_url': 'https://tendl.web.psi.ch/tendl_2019/tar_files/',
-            'compressed_files': ['TENDL-n.tgz'],
-            'transport_nuclides': 'depletion/tendl2019_nuclides.json',
-            'neutron_files': endf_files_dir.glob('tendl19c/*'),
-        },
-        '2021': {
-            'base_url': 'https://tendl.web.psi.ch/tendl_2021/tar_files/',
-            'compressed_files': ['TENDL-n.tgz'],
-            'transport_nuclides': 'depletion/tendl2021_nuclides.json',
-            'neutron_files': endf_files_dir.glob('tendl21c/*'),
-        }
-    }
-
-    DECAY_LIB = {
-        'jeff33': 'https://www.oecd-nea.org/dbdata/jeff/jeff33/downloads/JEFF33-rdd.zip',
-        'endf80': 'https://www.nndc.bnl.gov/endf-b8.0/zips/ENDF-B-VIII.0_decay.zip',
-    }
-    NFY_LIB = {
-        'jeff33': 'https://www.oecd-nea.org/dbdata/jeff/jeff33/downloads/JEFF33-nfy.asc',
-        'endf80': 'https://www.nndc.bnl.gov/endf-b8.0/zips/ENDF-B-VIII.0_nfy.zip',
-    }
-
-
-    # ==========================================================================
-    # Incident neutron data
-    for f in release_details[args.release]['compressed_files']:
-        downloaded_file = download(
-            url=urljoin(release_details[args.release]['base_url'], f),
-            output_path=download_path
-        )
-
-        extract(downloaded_file, neutron_dir)
-
-    # Get list of transport nuclides in TENDL-2019
-    with open(Path(openmc_data.__path__[0])/release_details[args.release]['transport_nuclides'], 'r') as fh:
-        transport_nuclides = set(json.load(fh))
-
-    neutron_files = [
-        p
-        for p in release_details[args.release]['neutron_files']
-        if p.name[2:-6] in transport_nuclides  # filename is n-XXNNN.tendl
-    ]
-
-    # ==========================================================================
-    # Decay and fission product yield data
-
-    decay_zip = download(DECAY_LIB[args.lib], output_path=download_path)
-    nfy_file = download(NFY_LIB[args.lib], output_path=download_path)
-
-    extract(decay_zip, decay_dir)
-    if args.lib == 'jeff33':
-        decay_files = list(decay_dir.glob('*.ASC'))
-
-        nfy_file_fixed = fix_jeff33_nfy(nfy_file)
-        nfy_files = openmc.data.endf.get_evaluations(nfy_file_fixed)
-
-    elif args.lib == 'endf80':
-        decay_files = list(decay_dir.rglob('*.endf'))
-
-        extract(nfy_file, nfy_dir)
-        nfy_files = list(nfy_dir.rglob('*.endf'))
-
-    chain = dep.Chain.from_endf(
-        decay_files, nfy_files, neutron_files,
-        reactions=dep.chain.REACTIONS.keys()
-    )
-
-    if args.destination is None:
-        args.destination=f'chain_{library_name}_{args.release}_{args.lib}.xml'
-
-    chain.export_to_xml(args.destination)
-    print(f'Chain file written to {args.destination}')
-
-
-if __name__ == "__main__":
-    main()