Merge pull request #109 from ukaea/develop

Develop

.circleci/config.yml

@@ -9,7 +9,7 @@ version: 2.1
 jobs:
   build:
     docker:
-      - image: openmcworkshop/openmc_workshop_dependencies:openmc_nndc
+      - image: openmc/openmc:develop
 
     working_directory: ~/repo
 

.github/workflows/autopep8.yml

@@ -21,4 +21,4 @@ jobs:
           git config --global user.name 'autopep8'
           git config --global user.email '[email protected]'
           git commit -am "Automated autopep8 fixes"
-          git push
+          git push

.github/workflows/python-publish-testpypi.yml

@@ -0,0 +1,32 @@
+# 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
+
+name: Upload Python Package
+
+on:
+  push:
+    branches:
+      - develop
+
+jobs:
+  deploy:
+
+    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.TEST_PYPI_API_TOKEN }}
+        run: |
+          python setup.py sdist bdist_wheel
+          twine upload --repository testpypi dist/*

.github/workflows/python-publish.yml

@@ -14,19 +14,19 @@ 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: ${{ secrets.PYPI_USERNAME }}
-        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-      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: 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/*

neutronics_material_maker/material.py

@@ -7,7 +7,7 @@
 import re
 import warnings
 from json import JSONEncoder
-
+from typing import Optional, Dict
 import asteval
 from CoolProp.CoolProp import PropsSI
 
@@ -140,29 +140,29 @@ class Material:
 
     def __init__(
         self,
-        material_name=None,
-        packing_fraction=1.0,
-        material_tag=None,
-        enrichment=None,
-        enrichment_target=None,
-        temperature_in_C=None,
-        temperature_in_K=None,
-        pressure_in_Pa=None,
-        elements=None,
-        chemical_equation=None,
-        isotopes=None,
-        percent_type=None,
-        density=None,
-        density_unit=None,
-        density_equation=None,
-        atoms_per_unit_cell=None,
-        volume_of_unit_cell_cm3=None,
-        enrichment_type=None,
-        reference=None,
-        zaid_suffix=None,
-        material_id=None,
-        decimal_places=8,
-        volume_in_cm3=None,
+        material_name: Optional[str] = None,
+        packing_fraction: Optional[float] = 1.0,
+        material_tag: Optional[str] = None,
+        enrichment: Optional[float] = None,
+        enrichment_target: Optional[str] = None,
+        temperature_in_C: Optional[float] = None,
+        temperature_in_K: Optional[float] = None,
+        pressure_in_Pa: Optional[float] = None,
+        elements: Optional[Dict[str, float]] = None,
+        chemical_equation: Optional[str] = None,
+        isotopes: Optional[Dict[str, float]] = None,
+        percent_type: Optional[str] = None,
+        density: Optional[float] = None,
+        density_unit: Optional[str] = None,
+        density_equation: Optional[str] = None,
+        atoms_per_unit_cell: Optional[int] = None,
+        volume_of_unit_cell_cm3: Optional[float] = None,
+        enrichment_type: Optional[str] = None,
+        reference: Optional[str] = None,
+        zaid_suffix: Optional[str] = None,
+        material_id: Optional[int] = None,
+        decimal_places: Optional[int] = 8,
+        volume_in_cm3: Optional[float] = None,
     ):
 
         self.material_name = material_name

neutronics_material_maker/mutlimaterial.py

@@ -2,14 +2,14 @@
 
 __author__ = "neutronics material maker development team"
 
-from neutronics_material_maker import (
-    make_fispact_material,
-    make_serpent_material,
-    make_mcnp_material,
-)
-import neutronics_material_maker as nmm
-from json import JSONEncoder
 import warnings
+from json import JSONEncoder
+from typing import List, Optional
+
+import neutronics_material_maker as nmm
+from neutronics_material_maker import (make_fispact_material,
+                                       make_mcnp_material,
+                                       make_serpent_material)
 
 OPENMC_AVAILABLE = True
 try:
@@ -79,17 +79,17 @@ class MultiMaterial:
 
     def __init__(
         self,
-        material_tag=None,
-        materials=[],
-        fracs=[],
-        percent_type="vo",
-        packing_fraction=1.0,
-        zaid_suffix=None,
-        material_id=None,
-        decimal_places=8,
-        volume_in_cm3=None,
-        temperature_in_C=None,
-        temperature_in_K=None
+        material_tag: Optional[str] = None,
+        materials: list = [],
+        fracs: List[float] = [],
+        percent_type: str = "vo",
+        packing_fraction: float = 1.0,
+        zaid_suffix: str = None,
+        material_id: int = None,
+        decimal_places: int = 8,
+        volume_in_cm3: float = None,
+        temperature_in_C: float = None,
+        temperature_in_K: float = None
     ):
         self.material_tag = material_tag
         self.materials = materials

setup.py

@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="neutronics_material_maker",
-    version="0.1.11",
+    version="0.1.12",
     summary="Package for making material cards for neutronics codes",
     author="neutronics_material_maker development team",
     author_email="[email protected]",