Update cantera and pyrometheus dependencies (#1053)

Author: sbryngelson

.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:  |

toolchain/bootstrap/python.sh

@@ -1,7 +1,7 @@
 #!/bin/bash
 
 MFC_PYTHON_MIN_MAJOR=3
-MFC_PYTHON_MIN_MINOR=9
+MFC_PYTHON_MIN_MINOR=11
 MFC_PYTHON_MIN_STR="$MFC_PYTHON_MIN_MAJOR.$MFC_PYTHON_MIN_MINOR"
 
 is_python_compatible() {

toolchain/modules

@@ -6,13 +6,6 @@
 # [slug]-cpu [cpu-only modules]  (any number of lines)
 # [slug]-gpu [gpu-only modules]  (any number of lines)
 
-s     OLCF Summit
-s-all python/3.8.10 darshan-runtime/3.3.1-lite hsi/5.0.2.p5 xalt/1.2.1
-s-cpu lsf-tools/2.0 cmake/3.23.2 ninja/1.10.2 spectrum-mpi/10.4.0.3-20210112
-s-cpu gcc/12.1.0
-s-gpu nvhpc/22.11 cuda/nvhpc
-s-gpu CC=nvc CXX=nvc++ FC=nvfortran
-
 b     PSC Bridges2
 b-all python/3.8.6 hdf5 anaconda3
 b-cpu allocations/1.0 gcc/10.2.0 openmpi/4.0.5-gcc10.2.0
@@ -42,15 +35,15 @@ e-gpu gpu/0.15.4 cuda/11.0.2 nvhpc/22.2 openmpi/4.0.5 cmake/3.19.8
 e-gpu CC=nvc CXX=nvc++ FC=nvfortran
 
 p     GT Phoenix
-p-all python/3.10.10
+p-all python/3.12.5
 p-cpu gcc/12.3.0 openmpi/4.1.5
-p-gpu nvhpc/24.5 hpcx/2.19-cuda cuda/12.1.1
+p-gpu python/3.12.5 nvhpc/24.5 hpcx/2.19-cuda cuda/12.1.1
 p-gpu MFC_CUDA_CC=70,75,80,89,90 NVHPC_CUDA_HOME=$CUDA_HOME CC=nvc CXX=nvc++ FC=nvfortran
 
 f     OLCF Frontier
 f-all cpe/25.03 rocm/6.3.1
-f-all cray-fftw cray-hdf5 cray-python cmake
-f-gpu craype-accel-amd-gfx90a rocprofiler-compute/3.0.0
+f-all cray-fftw cray-hdf5 python cmake
+f-gpu python craype-accel-amd-gfx90a rocprofiler-compute/3.0.0
 
 d     NCSA Delta
 d-all python/3.11.6
@@ -89,10 +82,6 @@ san   CSCS Santis
 san-all cmake python
 san-gpu nvhpc cuda cray-mpich
 
-san   CSCS Santis
-san-all cmake python
-san-gpu nvhpc cuda cray-mpich
-
 h     hipergator
 h-gpu nvhpc/25.9
 h-gpu CUDA_HOME="/apps/compilers/cuda/12.8.1"
@@ -101,4 +90,4 @@ h-all HPC_OMPI_BIN="/apps/mpi/cuda/12.8.1/nvhpc/25.3/openmpi/5.0.7/bin"
 h-all OMPI_MCA_pml=ob1 OMPI_MCA_coll_hcoll_enable=0
 h-gpu PATH="/apps/mpi/cuda/12.8.1/nvhpc/25.3/openmpi/5.0.7/bin:${PATH}"
 h-all LD_LIBRARY_PATH=/apps/compilers/cuda/12.8.1/lib64:$LD_LIBRARY_PATH
-h-gpu MFC_CUDA_CC=100 NVHPC_CUDA_HOME="/apps/compilers/cuda/12.8.1"
+h-gpu MFC_CUDA_CC=100 NVHPC_CUDA_HOME="/apps/compilers/cuda/12.8.1"

toolchain/pyproject.toml

@@ -37,9 +37,9 @@ dependencies = [
     "matplotlib",
 
     # Chemistry
-    "cantera==3.1.0",
+    "cantera>=3.1.0",
     #"pyrometheus == 1.0.5",
-    "pyrometheus @ git+https://github.com/wilfonba/pyrometheus-wilfong.git@OpenMPTest",
+    "pyrometheus @ git+https://github.com/pyrometheus/pyrometheus.git",
 
     # Frontier Profiling
     "astunparse==1.6.2",