spack

.github/file-filter.yml

@@ -8,6 +8,7 @@ fortran_src: &fortran_src
 python_src: &python_src
   - '**/*.py'
   - 'toolchain/pyproject.toml'
+  - '!packaging/**'
 
 cmakelist: &cmakelist
   - 'CMakeLists.txt'

.github/workflows/spack.yml

@@ -0,0 +1,214 @@
+name: 'Spack Package'
+
+on:
+  push:
+    paths:
+      - 'packaging/spack/**'
+      - '.github/workflows/spack.yml'
+  pull_request:
+    paths:
+      - 'packaging/spack/**'
+      - '.github/workflows/spack.yml'
+  workflow_dispatch:
+
+jobs:
+  lint:
+    name: Spack Lint & Style Check
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout MFC
+        uses: actions/checkout@v4
+
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.11'
+
+      - name: Install Spack
+        run: |
+          git clone --depth=1 https://github.com/spack/spack.git
+          echo "${GITHUB_WORKSPACE}/spack/bin" >> $GITHUB_PATH
+
+      - name: Setup Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack compiler find
+
+      - name: Install Package into Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Find the actual builtin repo location
+          BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
+          echo "Builtin repo location: $BUILTIN_REPO"
+          # Copy package file to the builtin repo
+          mkdir -p "$BUILTIN_REPO/packages/mfc"
+          cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
+          # Verify package is visible
+          spack list mfc
+          # Show package info to confirm it loads
+          spack info mfc
+
+      - name: Run Spack Style Check
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Skip flake8 F405 warnings which are expected for star imports in Spack packages
+          spack style -s flake8 packaging/spack/package.py
+
+      - name: Run Spack Audit
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack audit packages mfc
+
+      - name: Verify Package Info
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack info mfc
+
+  test-spec:
+    name: Test Package Spec
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout MFC
+        uses: actions/checkout@v4
+
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.11'
+
+      - name: Install Spack
+        run: |
+          git clone --depth=1 https://github.com/spack/spack.git
+          echo "${GITHUB_WORKSPACE}/spack/bin" >> $GITHUB_PATH
+
+      - name: Setup Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack compiler find
+
+      - name: Install Package into Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Find the actual builtin repo location
+          BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
+          echo "Builtin repo location: $BUILTIN_REPO"
+          # Copy package file to the builtin repo
+          mkdir -p "$BUILTIN_REPO/packages/mfc"
+          cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
+          # Verify package is visible
+          spack list mfc
+          # Show package info to confirm it loads
+          spack info mfc
+
+      - name: Test Default Spec
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack spec mfc
+
+      - name: Test Minimal Spec
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack spec mfc~mpi~post_process
+
+  test-install:
+    name: Test Installation & Execution
+    # Only run on pull requests or manual workflow dispatch to save CI time
+    if: github.event_name == 'pull_request' || github.event_name == 'workflow_dispatch'
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout MFC
+        uses: actions/checkout@v4
+
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.11'
+
+      - name: Install System Dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y gfortran cmake libopenblas-dev libfftw3-dev libhdf5-dev
+
+      - name: Install Spack
+        run: |
+          git clone --depth=1 https://github.com/spack/spack.git
+          echo "${GITHUB_WORKSPACE}/spack/bin" >> $GITHUB_PATH
+
+      - name: Setup Spack with Binary Cache
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack compiler find
+          # Add binary cache mirror for pre-built packages
+          spack mirror add binary_mirror https://binaries.spack.io/v0.23.1
+          spack buildcache keys --install --trust
+          # Mark system packages as external to avoid building
+          spack external find --not-buildable cmake python perl gfortran gcc
+          spack config add "packages:all:target:[x86_64]"
+
+      - name: Cache Spack Dependencies
+        id: spack-cache
+        uses: actions/cache@v4
+        with:
+          path: |
+            spack/opt/spack
+            spack/var/spack/cache
+          key: spack-deps-${{ runner.os }}-${{ hashFiles('packaging/spack/package.py') }}
+          restore-keys: |
+            spack-deps-${{ runner.os }}-
+
+      - name: Check Cache Status
+        run: |
+          if [ "${{ steps.spack-cache.outputs.cache-hit }}" == "true" ]; then
+            echo "✓ Cache hit! Dependencies already built."
+            . spack/share/spack/setup-env.sh
+            spack find
+          else
+            echo "⚠ Cache miss. Will build dependencies from source (~30-40 min)."
+          fi
+
+      - name: Install Package into Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Find the actual builtin repo location
+          BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
+          echo "Builtin repo location: $BUILTIN_REPO"
+          # Copy package file to the builtin repo
+          mkdir -p "$BUILTIN_REPO/packages/mfc"
+          cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
+          # Verify package is visible
+          spack list mfc
+
+      - name: Install MFC Dependencies
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Install just the dependencies first (these are cached)
+          spack install --show-log-on-error --only dependencies mfc@master~mpi~post_process
+
+      - name: Install MFC via Spack
+        run: |
+          . spack/share/spack/setup-env.sh
+          # Install MFC itself (dependencies are already installed/cached)
+          spack install --show-log-on-error mfc@master~mpi~post_process
+
+      - name: Test MFC Execution
+        run: |
+          . spack/share/spack/setup-env.sh
+          spack load mfc
+          # Verify binaries are available
+          which pre_process
+          which simulation
+          echo "✓ Binaries found"
+          # Create test directory
+          mkdir -p test_run
+          cd test_run
+          # Copy example case
+          cp ../examples/1D_sodshocktube/case.py .
+          # Generate case configuration
+          python3 case.py > case.json
+          echo "✓ Generated case configuration"
+          # Run pre_process
+          pre_process < case.json
+          echo "✓ Pre-processing completed"
+          # Run simulation (just 1 step to verify it works)
+          simulation
+          echo "✓ Simulation completed"

CITATION.cff

@@ -4,7 +4,7 @@
 
 cff-version: 1.2.0
 message: "If you use this software, please cite it as below."
-title: "Multicomponent Flow Code (MFC)"
+title: "Multicomponent Flow Code"
 url: "https://github.com/MFlowCode/MFC"
 preferred-citation:
   type: article
@@ -13,83 +13,15 @@ preferred-citation:
   doi: "10.48550/arXiv.2503.07953"
   year: 2025
   authors:
-    - given-names: Benjamin
-      family-names: Wilfong
-    - given-names: Henry
-      family-names: Le Berre
-    - given-names: Anand
-      family-names: Radhakrishnan
-    - given-names: Ansh
-      family-names: Gupta
-    - given-names: Diego
-      family-names: Vaca-Revelo
-    - given-names: Dimitrios
-      family-names: Adam
-    - given-names: Haocheng
-      family-names: Yu
-    - given-names: Hyeoksu
-      family-names: Lee
-    - given-names: Jose Rodolfo
-      family-names: Chreim
-    - given-names: Mirelys
-      family-names: Carcana Barbosa
-    - given-names: Yanjun
-      family-names: Zhang
-    - given-names: Esteban
-      family-names: Cisneros-Garibay
-    - given-names: Aswin
-      family-names: Gnanaskandan
-    - given-names: Mauro
-      family-names: Rodriguez Jr.
-    - given-names: Reuben D.
-      family-names: Budiardja
-    - given-names: Stephen
-      family-names: Abbott
-    - given-names: Tim
-      family-names: Colonius
-    - given-names: Spencer H.
-      family-names: Bryngelson
-references:
-  - type: article
-    title: "Method for portable, scalable, and performant GPU-accelerated simulation of multiphase compressible flow"
-    doi: "10.1016/j.cpc.2024.109238"
-    journal: "Computer Physics Communications"
-    volume: 302
-    start: 109238
-    year: 2024
-    authors:
-      - given-names: A.
-        family-names: Radhakrishnan
-      - given-names: H.
-        family-names: Le Berre
-      - given-names: B.
-        family-names: Wilfong
-      - given-names: J.-S.
-        family-names: Spratt
-      - given-names: M.
-        family-names: Rodriguez Jr.
-      - given-names: T.
-        family-names: Colonius
-      - given-names: S. H.
-        family-names: Bryngelson
-  - type: article
-    title: "MFC: An open-source high-order multi-component, multi-phase, and multi-scale compressible flow solver"
-    doi: "10.1016/j.cpc.2020.107396"
-    journal: "Computer Physics Communications"
-    volume: 266
-    start: 107396
-    month: 5
-    year: 2021
-    authors:
-      - given-names: Spencer H.
-        family-names: Bryngelson
-      - given-names: Kevin
-        family-names: Schmidmayer
-      - given-names: Vedran
-        family-names: Coralic
-      - given-names: Jomela C.
-        family-names: Meng
-      - given-names: Kazuki
-        family-names: Maeda
-      - given-names: Tim
-        family-names: Colonius
+  - given-names:  Spencer H.
+    family-names: Bryngelson
+  - given-names:  Kevin
+    family-names: Schmidmayer
+  - given-names:  Vedran
+    family-names: Coralic
+  - given-names:  Jomela C.
+    family-names: Meng
+  - given-names:  Kazuki
+    family-names: Maeda
+  - given-names:  Tim
+    family-names: Colonius