Merge branch 'master' into HDF5-build

Author: Malmahrouqi3

.github/workflows/bench.yml

@@ -62,6 +62,14 @@ jobs:
             device: gpu
             interface: acc
             build_script: "bash .github/workflows/frontier/build.sh gpu acc bench"
+          - cluster: frontier
+            name: Oak Ridge | Frontier (CCE)
+            group: phoenix
+            labels: frontier
+            flag: f
+            device: gpu
+            interface: omp
+            build_script: "bash .github/workflows/frontier/build.sh gpu omp bench"
     runs-on:
       group: ${{ matrix.group }}
       labels: ${{ matrix.labels }}

.github/workflows/deploy-tap.yml

@@ -1,21 +1,29 @@
 name: Deploy Homebrew Tap
 
 on:
+  # Test formula on PRs (audit only, don't deploy)
+  pull_request:
+    branches: [ master ]
+    paths:
+      - 'packaging/homebrew/mfc.rb'
+      - 'packaging/homebrew/README.md'
+  # Deploy to tap on push to master
   push:
-    branches: [ main, master, homebrew-formula ]
+    branches: [ master, homebrew-new ]
     paths:
       - 'packaging/homebrew/mfc.rb'
       - 'packaging/homebrew/README.md'
     tags:
       - 'v*.*.*'
+  # Allow manual trigger for testing
   workflow_dispatch:
 
 permissions:
   contents: read
 
 jobs:
   deploy-tap:
-    name: Sync/bump formula in tap
+    name: Audit and deploy formula
     runs-on: macos-14
     permissions:
       contents: write
@@ -41,6 +49,13 @@ jobs:
           echo "version=${VERSION}" >> $GITHUB_OUTPUT
           echo "url=${URL}" >> $GITHUB_OUTPUT
           echo "sha256=${SHASUM}" >> $GITHUB_OUTPUT
+          echo "Event: ${{ github.event_name }}" >> $GITHUB_STEP_SUMMARY
+          echo "Version: ${VERSION}" >> $GITHUB_STEP_SUMMARY
+          if [[ "${{ github.event_name }}" == "pull_request" ]]; then
+            echo "Mode: Audit only (PR)" >> $GITHUB_STEP_SUMMARY
+          else
+            echo "Mode: Audit and deploy" >> $GITHUB_STEP_SUMMARY
+          fi
 
       - name: Update formula (for tag events)
         if: github.ref_type == 'tag'
@@ -61,6 +76,7 @@ jobs:
           brew untap mfc/local
 
       - name: Clone or bootstrap tap repository
+        if: github.event_name != 'pull_request'
         env:
           TAP_TOKEN: ${{ secrets.TAP_REPO_TOKEN }}
         run: |
@@ -81,12 +97,14 @@ jobs:
           fi
 
       - name: Copy formula and README into tap
+        if: github.event_name != 'pull_request'
         run: |
           mkdir -p tap-repo/Formula
           cp packaging/homebrew/mfc.rb tap-repo/Formula/mfc.rb
           cp packaging/homebrew/README.md tap-repo/README.md
 
       - name: Commit & push if changed
+        if: github.event_name != 'pull_request'
         env:
           TAP_TOKEN: ${{ secrets.TAP_REPO_TOKEN }}
         run: |

.github/workflows/homebrew.yml

@@ -2,15 +2,10 @@ name: Homebrew Formula Test
 
 on:
   push:
-    branches:
-      - master
-      - homebrew-formula
     paths:
       - 'packaging/homebrew/**'
       - '.github/workflows/homebrew.yml'
   pull_request:
-    branches:
-      - master
     paths:
       - 'packaging/homebrew/**'
       - '.github/workflows/homebrew.yml'

.github/workflows/lint-toolchain.yml

@@ -11,6 +11,11 @@ jobs:
     - uses: actions/checkout@v4
 
     - name: MFC Python setup
+      uses: actions/setup-python@v5
+      with:
+        python-version: '3.14'
+    
+    - name: Initialize MFC
       run: ./mfc.sh init
 
     - name: Lint the toolchain

.github/workflows/phoenix/submit-bench.sh

@@ -42,7 +42,7 @@ sbatch <<EOT
 #SBATCH --account=gts-sbryngelson3 # charge account
 #SBATCH -N1                        # Number of nodes required
 $sbatch_device_opts
-#SBATCH -t 02:00:00                # Duration of the job (Ex: 15 mins)
+#SBATCH -t 03:00:00                # Duration of the job (Ex: 15 mins)
 #SBATCH -q embers                  # QOS Name
 #SBATCH -o$job_slug.out            # Combined output and error messages file
 #SBATCH -W                         # Do not exit until the submitted job terminates.

.github/workflows/test.yml

@@ -48,11 +48,6 @@ jobs:
       - name: Clone
         uses: actions/checkout@v4
 
-      - name: Set up Python 3.13
-        uses: actions/setup-python@v5
-        with:
-          python-version: '3.13'
-
       - name: Setup MacOS
         if:   matrix.os == 'macos'
         run:  |
@@ -81,6 +76,10 @@ jobs:
           source /opt/intel/oneapi/setvars.sh
           printenv >> $GITHUB_ENV
 
+      - name: Set up Python 3.14
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.14'
 
       - name: Build
         run:  |
@@ -111,10 +110,6 @@ jobs:
           - device: 'cpu'
             interface: 'none'
             lbl: 'frontier'
-        exclude:
-          - device: 'gpu'
-            interface: 'omp'
-            lbl: 'frontier'
     runs-on:
       group:  phoenix
       labels: ${{ matrix.lbl }}

.gitignore

@@ -19,6 +19,9 @@ __pycache__
 
 *.egg-info
 
+# Auto-generated version file
+toolchain/mfc/_version.py
+
 .DS_Store
 
 /tests/*/**

CITATION.cff

@@ -9,6 +9,7 @@ url: "https://github.com/MFlowCode/MFC"
 preferred-citation:
   type: article
   title: "MFC 5.0: An exascale many-physics flow solver"
+  journal: "arXiv preprint arXiv.2503.07953"
   doi: "10.48550/arXiv.2503.07953"
   year: 2025
   authors:

CMakeLists.txt

@@ -29,6 +29,7 @@ option(MFC_SYSCHECK      "Build syscheck"                                    OFF
 option(MFC_DOCUMENTATION "Build documentation"                               OFF)
 option(MFC_ALL           "Build everything"                                  OFF)
 option(MFC_SINGLE_PRECISION "Build single precision"                         OFF)
+option(MFC_MIXED_PRECISION "Build mixed precision"                           OFF)
 
 if (MFC_ALL)
     set(MFC_PRE_PROCESS   ON FORCE)
@@ -43,6 +44,10 @@ else()
     add_compile_definitions(MFC_DOUBLE_PRECISION)
 endif()
 
+if (MFC_MIXED_PRECISION)
+    add_compile_definitions(MFC_MIXED_PRECISION)
+endif()
+
 
 # CMake Library Imports
 
@@ -192,7 +197,7 @@ elseif ((CMAKE_Fortran_COMPILER_ID STREQUAL "NVHPC") OR (CMAKE_Fortran_COMPILER_
     add_compile_options(
         $<$<COMPILE_LANGUAGE:Fortran>:-Mfreeform>
         $<$<COMPILE_LANGUAGE:Fortran>:-cpp>
-	      $<$<COMPILE_LANGUAGE:Fortran>:-Minfo=inline>
+        $<$<COMPILE_LANGUAGE:Fortran>:-Minfo=inline>
         $<$<COMPILE_LANGUAGE:Fortran>:-Minfo=accel>
     )
 
@@ -470,10 +475,10 @@ function(MFC_SETUP_TARGET)
             endif()
         endif()
 
-				if (ARGS_LAPACK)
-					find_package(LAPACK REQUIRED)
-					target_link_libraries(${a_target} PRIVATE LAPACK::LAPACK)
-				endif()
+        if (ARGS_LAPACK)
+            find_package(LAPACK REQUIRED)
+            target_link_libraries(${a_target} PRIVATE LAPACK::LAPACK)
+        endif()
 
         if ((MFC_OpenACC AND ARGS_OpenACC) OR (MFC_OpenMP AND ARGS_OpenMP))
             if ((MFC_OpenACC AND ARGS_OpenACC))
@@ -569,7 +574,13 @@ function(MFC_SETUP_TARGET)
                 find_package(hipfort COMPONENTS hip CONFIG REQUIRED)
                 target_link_libraries(${a_target} PRIVATE hipfort::hip hipfort::hipfort-amdgcn)
             elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "LLVMFlang")
-                find_package(hipfort COMPONENTS hip CONFIG REQUIRED)
+
+                if (MFC_Unified)
+                    target_compile_options(${ARGS_TARGET}
+                        PRIVATE -DFRONTIER_UNIFIED)
+                endif()
+
+    		find_package(hipfort COMPONENTS hip CONFIG REQUIRED)
                 target_link_libraries(${a_target} PRIVATE hipfort::hip hipfort::hipfort-amdgcn flang_rt.hostdevice)
             endif()
         elseif (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray")

README.md

@@ -33,11 +33,12 @@
     <img src="https://img.shields.io/badge/discussions-join-brightgreen" />
   </a>
   <a href="https://github.com/codespaces/new?hide_repo_select=true&ref=master&repo=MFlowCode%2FMFC">
-    <img src="https://img.shields.io/badge/Codespaces-Open%20in%201%20click-2ea44f?logo=github" />
-  </a>
-  <a href="https://github.com/MFlowCode/MFC/releases">
-    <img src="https://img.shields.io/github/v/release/MFlowCode/MFC?display_name=release" />
+    <img src="https://img.shields.io/badge/Codespaces-Open-2ea44f?logo=github" />
   </a>
+  <a href="https://hub.docker.com/r/sbryngelson/mfc">
+    <img src="https://img.shields.io/badge/dockerhub-images-important.svg?logo=Docker&style=flat" />
+  </a>	
+	
   <a href="https://github.com/MFlowCode/homebrew-mfc">
     <img src="https://img.shields.io/badge/homebrew-mflowcode%2Fmfc%2Fmfc-brown?logo=homebrew&style=flat" />
   </a>	
@@ -63,6 +64,7 @@ MFC runs at exascale on the world's fastest supercomputers:
 | Path | Command |
 | --- | --- |
 | **Codespaces** (fastest) 💨 | Click the "Codespaces" badge above to launch in 1 click |
+| **Docker** 🐳 | `docker run -it --rm --entrypoint bash sbryngelson/mfc:latest-cpu` |
 | **Homebrew** (macOS) 🍺 | `brew install mflowcode/mfc/mfc && mfc $(brew --prefix mfc)/examples/1D_sodshocktube/case.py -n 2` |
 | **Local build** 💻 | `./mfc.sh build -j $(nproc) && ./mfc.sh test -j $(nproc)` |
 
@@ -143,6 +145,12 @@ Some examples are below.
 For a _very_ quick start, open a GitHub Codespace to load a pre-configured Docker container and familiarize yourself with MFC commands.
 Click <kbd> <> Code</kbd> (green button at top right) → <kbd>Codespaces</kbd> (right tab) → <kbd>+</kbd> (create a codespace).
 
+Alternatively, run MFC directly with Docker on your local machine:
+```bash
+docker run -it --rm --entrypoint bash sbryngelson/mfc:latest-cpu
+```
+Once inside the container, navigate to `/opt/MFC` to access MFC and run examples.
+
 > ****Note:**** Codespaces is a free service with a monthly quota of compute time and storage usage.
 > It is recommended for testing commands, troubleshooting, and running simple case files without installing dependencies or building MFC on your device.
 > Don't conduct any critical work here!