Pul develop into fniycbo branch

.github/workflows/run_testsuite.yml

@@ -0,0 +1,163 @@
+# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
+# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
+
+name: Build UEDGE and run test suite
+
+on: [push, pull_request]
+
+jobs:
+  fulltests:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.9]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install pip dependencies
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install forthon mppl numpy h5py
+        python -m pip install flake8
+        python -m pip install pytest-isolate pytest-xdist
+    - name: Build UEDGE
+      run: |
+        python setup.py build
+        python setup.py install
+    - name: Return to pytests branch
+      uses: actions/checkout@v4
+      with:
+        ref: pytests-develop
+        repository: LLNL/UEDGE 
+    - name: Test with pytest
+      run: |
+        # Create a clean UEDGE instance for every test
+        pytest --isolate --tb=native pytests/fulltests
+
+  unittests_D-and-C:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.9]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install pip dependencies
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install forthon mppl numpy h5py
+        python -m pip install flake8
+        python -m pip install pytest-isolate pytest-xdist
+    - name: Build UEDGE
+      run: |
+        python setup.py build
+        python setup.py install
+    - name: Return to pytests branch
+      uses: actions/checkout@v4
+      with:
+        ref: pytests-develop
+        repository: LLNL/UEDGE 
+    - name: Test with pytest
+      run: |
+        # Create a clean UEDGE instance for every test
+        pytest --isolate --tb=native pytests/unittests/D+C
+
+  unittests_D-mols:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.9]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install pip dependencies
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install forthon mppl numpy h5py
+        python -m pip install flake8
+        python -m pip install pytest-isolate pytest-xdist
+    - name: Build UEDGE
+      run: |
+        python setup.py build
+        python setup.py install
+    - name: Return to pytests branch
+      uses: actions/checkout@v4
+      with:
+        ref: pytests-develop
+        repository: LLNL/UEDGE 
+    - name: Test with pytest
+      run: |
+        # Create a clean UEDGE instance for every test
+        pytest --isolate --tb=native pytests/unittests/D_mols
+
+  unittests_D-only:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.9]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install pip dependencies
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install forthon mppl numpy h5py
+        python -m pip install flake8
+        python -m pip install pytest-isolate pytest-xdist
+    - name: Build UEDGE
+      run: |
+        python setup.py build
+        python setup.py install
+    - name: Return to pytests branch
+      uses: actions/checkout@v4
+      with:
+        ref: pytests-develop
+        repository: LLNL/UEDGE 
+    - name: Test with pytest
+      run: |
+        # Create a clean UEDGE instance for every test
+        pytest --isolate --tb=native pytests/unittests/D_only
+
+  unittests_slab-D-only:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [3.9]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install pip dependencies
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install forthon mppl numpy h5py
+        python -m pip install flake8
+        python -m pip install pytest-isolate pytest-xdist
+    - name: Build UEDGE
+      run: |
+        python setup.py build
+        python setup.py install
+    - name: Return to pytests branch
+      uses: actions/checkout@v4
+      with:
+        ref: pytests-develop
+        repository: LLNL/UEDGE 
+    - name: Test with pytest
+      run: |
+        # Create a clean UEDGE instance for every test
+        pytest --isolate --tb=native pytests/unittests/slab_D_only
+

.gitignore

@@ -1,5 +1,6 @@
 *.pyc
 *.F
+a.out
 */build/
 build/
 .idea/
@@ -10,8 +11,10 @@ a.out
 PyUEDGE_tutorial/*
 *.swo
 pyscripts/__src__.py
+pyscripts/__version__.py
 dist/uedge-8.0.0-py3.7-macosx-10.9-x86_64.egg
 uedge.egg-info
 *.egg
 *.c
 *.f
+pyscripts/__version__.py

api/Package

@@ -3,7 +3,7 @@ POINTER = cray
 
 VDF = api.v
 
-NVDF = ../com/com.v
+NVDF = ../com/com.v ../bbb/bbb.v
 
 SM = apifcn.m apip93.m apisorc.m fimp.m inelrates.m fmombal.m sputt.m
 

api/fimp.m

@@ -267,7 +267,7 @@ subroutine readmc(nzdf,mcfilename)
       character*256 fname
       Use(Multicharge)
       Use(Math_problem_size)  # neqmx
-      Use(Lsode)        # iprint
+      Use(Flags)        # iprint
       Use(Impdata)      #apidir
 
 c ... Function:

api/sputt.m

@@ -41,7 +41,7 @@ SUBROUTINE SYLD96(MATT,MATP,CION,CIZB,CRMB)
 
       Use(Cyield)   # ceth,cetf,cq,ntars,cidata
       Use(Math_problem_size) # neqmx
-      Use(Lsode)    # iprint
+      Use(Flags)    # iprint
 
       real ETH(7,12), ETF(7,12), Q(7,12), EBD(12)
       LOGICAL IDATA(7,12)