Remove problematic patch and add Cantera dependency to Spack package

- Delete fix-chemistry-disabled.patch that was causing Fortran compilation errors
- Add py-cantera@3: as a build dependency for future chemistry support
- Update CI workflow to remove patch file copying
- Update SPACK.md documentation to reflect changes

Author: sbryngelson

.github/workflows/spack.yml

@@ -40,10 +40,9 @@ jobs:
           # Find the actual builtin repo location
           BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
           echo "Builtin repo location: $BUILTIN_REPO"
-          # Copy package and patch files to the builtin repo
+          # Copy package file to the builtin repo
           mkdir -p "$BUILTIN_REPO/packages/mfc"
           cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
-          cp packaging/spack/*.patch "$BUILTIN_REPO/packages/mfc/" 2>/dev/null || true
           # Verify package is visible
           spack list mfc
           # Show package info to confirm it loads
@@ -93,10 +92,9 @@ jobs:
           # Find the actual builtin repo location
           BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
           echo "Builtin repo location: $BUILTIN_REPO"
-          # Copy package and patch files to the builtin repo
+          # Copy package file to the builtin repo
           mkdir -p "$BUILTIN_REPO/packages/mfc"
           cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
-          cp packaging/spack/*.patch "$BUILTIN_REPO/packages/mfc/" 2>/dev/null || true
           # Verify package is visible
           spack list mfc
           # Show package info to confirm it loads
@@ -174,10 +172,9 @@ jobs:
           # Find the actual builtin repo location
           BUILTIN_REPO=$(spack repo list | grep builtin | awk '{print $NF}')
           echo "Builtin repo location: $BUILTIN_REPO"
-          # Copy package and patch files to the builtin repo
+          # Copy package file to the builtin repo
           mkdir -p "$BUILTIN_REPO/packages/mfc"
           cp packaging/spack/package.py "$BUILTIN_REPO/packages/mfc/"
-          cp packaging/spack/*.patch "$BUILTIN_REPO/packages/mfc/" 2>/dev/null || true
           # Verify package is visible
           spack list mfc
 

packaging/spack/SPACK.md

@@ -94,6 +94,7 @@ Build-time dependencies (required during compilation):
 - [email protected] or newer - Build system
 - py-fypp - Fortran preprocessor
 - [email protected] or newer - Build scripts
+- [email protected] or newer - Chemistry library (for future chemistry support)
 
 Runtime dependencies (always required):
 - [email protected] or newer - Fast Fourier Transform library
@@ -146,11 +147,6 @@ The package configures the build environment:
 - Sets up compiler wrappers for MPI when enabled
 - Configures GPU toolchains when GPU variants are selected
 
-### Patches
-
-The package includes patches to fix build issues:
-- `fix-chemistry-disabled.patch`: Fixes CMake-only builds by providing a stub `num_species` parameter when chemistry support is disabled (default for CMake builds). This allows `m_derived_types` to compile without requiring the generated `m_thermochem` module.
-
 ### CMake Integration
 
 Spack automatically handles CMake configuration:

packaging/spack/fix-chemistry-disabled.patch

@@ -25,9 +25,6 @@ class Mfc(CMakePackage):
     version("master", branch="master")
     version("5.1.0", sha256="4684bee6a529287f243f8929fb7edb0dfebbb04df7c1806459761c9a6c9261cf")
 
-    # Patches
-    patch("fix-chemistry-disabled.patch", when="@5.1.0,master")
-
     # Build options
     variant("mpi", default=True, description="Build with MPI support")
     variant("openacc", default=False, description="Build with OpenACC GPU support")
@@ -44,6 +41,7 @@ class Mfc(CMakePackage):
     depends_on("[email protected]:", type="build")
     depends_on("py-fypp", type="build")
     depends_on("python@3:", type="build")
+    depends_on("py-cantera@3:", type="build")
 
     # Runtime dependencies
     depends_on("fftw@3:", when="~mpi")