Merge pull request #18 from openmc-data-storage/develop

now raising import errors

Author: shimwell

.github/workflows/docker_ci_main.yml

@@ -12,13 +12,29 @@ on:
 jobs:
   build:
     runs-on: ubuntu-latest
-    
+    container:
+      image: openmc/openmc:develop
+
     steps:
-    - uses: actions/checkout@v1
-    - name: Build and test with Docker
+    - name: checkout repository
+      uses: actions/checkout@v2
+
+    - name: Setup package
+      run: |
+        python setup.py install
+
+    - name: test test_command_line_usage.py
+      run: |
+        pytest tests/test_command_line_usage.py -v --cov=openmc_data_downloader --cov-report term --cov-report xml
+
+    - name: test test_functions.py
+      run: |
+        pytest tests/test_functions.py -v --cov=openmc_data_downloader --cov-report term --cov-report xml
+
+    - name: test test_use_in_openmc.py
+      run: |
+        pytest tests/test_use_in_openmc.py -v --cov=openmc_data_downloader --cov-report term --cov-report xml
+
+    - name: upload test results
       run: |
-        mkdir share
-        sudo apt-get install -y curl
-        docker build -t openmc_data_downloader .
-        docker run -v "$PWD/share:/share" openmc_data_downloader
         curl -s https://codecov.io/bash | bash

.github/workflows/python-publish.yml

@@ -1,9 +1,15 @@
-# This workflows will upload a Python Package using Twine when a release is created
-# For more information see: https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+# This yml file will trigger a Github Actions event that builds and upload the
+# Python package to PiPy. This makes use of Twine and is triggered when a push
+# to the main branch occures. For more information see:
+# https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+# and for details on the Autobump version section see:
+# https://github.com/grst/python-ci-versioneer
 
 name: Upload Python Package
 
 on:
+  # allows us to run workflows manually
+  workflow_dispatch:
   release:
     types: [created]
 
@@ -13,19 +19,33 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v2
-      - name: Set up Python
-        uses: actions/setup-python@v2
-        with:
-          python-version: '3.x'
-      - name: Install dependencies
-        run: |
-          python -m pip install --upgrade pip
-          pip install setuptools wheel twine
-      - name: Build and publish
-        env:
-          TWINE_USERNAME: __token__
-          TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}
-        run: |
-          python setup.py sdist bdist_wheel
-          twine upload dist/*
+    - uses: actions/checkout@v2
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: '3.x'
+
+    - name: Autobump version
+      run: |
+        # from refs/tags/v1.2.3 get 1.2.3
+        VERSION=$(echo $GITHUB_REF | sed 's#.*/v##')
+        PLACEHOLDER='version="develop"'
+        VERSION_FILE='setup.py'
+        # Grep checks that the placeholder is in the file. If grep doesn't find
+        # the placeholder then it exits with exit code 1 and github actions fails.
+        grep "$PLACEHOLDER" "$VERSION_FILE"
+        sed -i "s@$PLACEHOLDER@version=\"${VERSION}\"@g" "$VERSION_FILE"
+      shell: bash
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install setuptools wheel twine
+
+    - name: Build and publish
+      env:
+        TWINE_USERNAME: __token__
+        TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}
+      run: |
+        python setup.py sdist bdist_wheel
+        twine upload dist/*

Dockerfile

@@ -1,23 +1,18 @@
 
 
 import os
+import warnings
 import xml.etree.ElementTree as ET
 from pathlib import Path
-from typing import List, Union, Optional
+from typing import List, Optional, Union
 from urllib.parse import urlparse
 from urllib.request import urlopen
 
 import pandas as pd
 
-from openmc_data_downloader import (
-    NATURAL_ABUNDANCE,
-    LIB_OPTIONS,
-    PARTICLE_OPTIONS,
-    SAB_OPTIONS,
-    ISOTOPE_OPTIONS,
-    xs_info,
-    sab_info
-)
+from openmc_data_downloader import (ISOTOPE_OPTIONS, LIB_OPTIONS,
+                                    NATURAL_ABUNDANCE, PARTICLE_OPTIONS,
+                                    SAB_OPTIONS, sab_info, xs_info)
 
 _BLOCK_SIZE = 16384
 
@@ -37,12 +32,19 @@ def set_enviromental_varible(cross_section_xml_path: Union[Path, str]) -> None:
 
 
 def expand_materials_to_isotopes(materials: list):
+
+    if isinstance(materials, list):
+        if len(materials) == 0:
+            return []
+
     try:
         import openmc
     except ImportError:
-        print('openmc python package was not imported, '
-              'expand_materials_to_isotopes can not be performed.')
-        return None
+        msg = (
+            'import openmc failed. openmc python package could not be found '
+            'and was not imported, the expand_materials_to_isotopes '
+            'opperation can not be performed ithout openmc')
+        raise ImportError(msg)
 
     if isinstance(materials, openmc.Materials):
         iterable_of_materials = materials
@@ -72,12 +74,19 @@ def expand_materials_to_isotopes(materials: list):
 
 
 def expand_materials_to_sabs(materials: list):
+
+    if isinstance(materials, list):
+        if len(materials) == 0:
+            return []
+
     try:
         import openmc
     except ImportError:
-        print('openmc python package was not imported, '
-              'expand_materials_to_isotopes can not be performed.')
-        return None
+        msg = (
+            'import openmc failed. openmc python package could not be found '
+            'and was not imported, the expand_materials_to_sabs '
+            'opperation can not be performed ithout openmc')
+        raise ImportError(msg)
 
     if isinstance(materials, openmc.Materials):
         iterable_of_materials = materials
@@ -113,15 +122,15 @@ def just_in_time_library_generator(
     sab: List[str] = [],
     destination: Union[str, Path] = None,
     materials_xml: List[Union[str, Path]] = [],
-    materials: list = [],
+    materials: list = [],  # also accepts a single openmc.Material
     particles: Optional[List[str]] = ['neutron', 'photon'],
     set_OPENMC_CROSS_SECTIONS: bool = True,
 ) -> str:
 
     # expands elements, materials xml into list of isotopes
-    if len(elements) > 0:
-        isotopes_from_elements = expand_elements_to_isotopes(elements)
-        isotopes = list(set(isotopes + isotopes_from_elements))
+
+    isotopes_from_elements = expand_elements_to_isotopes(elements)
+    isotopes = list(set(isotopes + isotopes_from_elements))
 
     isotopes_from_material_xml = expand_materials_xml_to_isotopes(
         materials_xml)
@@ -156,7 +165,10 @@ def just_in_time_library_generator(
     cross_section_xml_path = create_cross_sections_xml(dataframe, destination)
 
     if set_OPENMC_CROSS_SECTIONS is True:
-        set_enviromental_varible(cross_section_xml_path)
+        # making the cross section xml requires openmc and returns None if
+        # openmc is not found.
+        if cross_section_xml_path is not None:
+            set_enviromental_varible(cross_section_xml_path)
     else:
         print('Set your $OPENMC_CROSS_SECTIONS enviromental varible to {} to '
               'use this custom library'.format(cross_section_xml_path))
@@ -239,8 +251,11 @@ def create_cross_sections_xml(dataframe, destination: Union[str, Path]) -> str:
     try:
         import openmc
     except ImportError:
-        print('openmc python package was was found, cross_sections.xml can '
-              'not be made.')
+        msg = (
+            'import openmc failed. openmc python package could not be found '
+            'and was not imported, cross sections.xml can not be made'
+            'without openmc')
+        warnings.warn(msg)
         return None
 
     library = openmc.data.DataLibrary()

openmc_data_downloader/utils.py

@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="openmc_data_downloader",
-    version="0.3.0",
+    version="develop",
     summary="Download cross section h5 files for use in OpenMC",
     author="Jonathan Shimwell",
     author_email="mail@jshimwell.com",
@@ -24,6 +24,17 @@
             "LICENSE",
         ]
     },
+    classifiers=[
+        'Natural Language :: English',
+        'Topic :: Scientific/Engineering',
+        'Programming Language :: Python :: 3',
+        'Programming Language :: Python :: 3.6',
+        'Programming Language :: Python :: 3.7',
+        'Programming Language :: Python :: 3.8',
+        'Programming Language :: Python :: 3.9',
+        'License :: OSI Approved :: MIT License',
+        'Operating System :: OS Independent',
+    ],
     tests_require=["pytest-cov", "pytest-runner"],
     install_requires=[
         "pandas",

setup.py

@@ -145,5 +145,6 @@ def test_sab_download_with_endf(self):
         assert Path('ENDFB-7.1-NNDC_O16.h5').is_file()
         assert Path('ENDFB-7.1-NNDC_O17.h5').is_file()
         assert Path('TENDL-2019_O18.h5').is_file()
+        assert Path('ENDFB-7.1-NNDC_c_Be_in_BeO.h5').is_file()
         assert Path('materials.xml').is_file()
-        assert len(list(Path('.').glob('*.h5'))) == 4
+        assert len(list(Path('.').glob('*.h5'))) == 5