From 178dd79a3c4863b5850afad1e5c1f5b07b50e478 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 18 Nov 2025 09:46:53 -0500 Subject: [PATCH 01/12] Update cantera and pyrometheus dependencies --- toolchain/pyproject.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/pyproject.toml b/toolchain/pyproject.toml index 517225f01b..cdffa9e51f 100644 --- a/toolchain/pyproject.toml +++ b/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/sbryngelson/pyrometheus-bryngelson.git@OpenMPTest", # Frontier Profiling "astunparse==1.6.2", From 13edff842b8c00e87f76df129efffbab64a4a691 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 18 Nov 2025 09:47:50 -0500 Subject: [PATCH 02/12] Remove Python 3.13 setup from test workflow Removed Python setup step from the workflow. --- .github/workflows/test.yml | 5 ----- 1 file changed, 5 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index a982f207e2..74f3f5c1cb 100644 --- a/.github/workflows/test.yml +++ b/.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: | From 6b545a81134d4da45106049ee2115340f4cbf2ec Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 09:01:52 -0500 Subject: [PATCH 03/12] Add Python 3.14 setup to workflow --- .github/workflows/test.yml | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 74f3f5c1cb..d7b4703a1e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -76,6 +76,10 @@ jobs: source /opt/intel/oneapi/setvars.sh printenv >> $GITHUB_ENV + - name: Set up Python 3.14 + uses: actions/setup-python@v5 + with: + python-version: '3.14' - name: Build run: | From 167f9095f32f9f06fa6baf79cafdafdcc8effe43 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 15:08:35 -0500 Subject: [PATCH 04/12] Update pyrometheus dependency source in pyproject.toml --- toolchain/pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/pyproject.toml b/toolchain/pyproject.toml index cdffa9e51f..f7fffce1c6 100644 --- a/toolchain/pyproject.toml +++ b/toolchain/pyproject.toml @@ -39,7 +39,7 @@ dependencies = [ # Chemistry "cantera>=3.1.0", #"pyrometheus == 1.0.5", - "pyrometheus @ git+https://github.com/sbryngelson/pyrometheus-bryngelson.git@OpenMPTest", + "pyrometheus @ git+https://github.com/pyrometheus/pyrometheus.git", # Frontier Profiling "astunparse==1.6.2", From e81beb6738072da9e665f368e4fbe59a3a7d8d61 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 15:50:50 -0500 Subject: [PATCH 05/12] Update modules --- toolchain/modules | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/modules b/toolchain/modules index 67655a41df..a923d6f7d7 100644 --- a/toolchain/modules +++ b/toolchain/modules @@ -42,7 +42,7 @@ e-gpu gpu/0.15.4 cuda/11.0.2 nvhpc/22.2 openmpi/4.0.5 cmake/3.19.8 e-gpu CC=nvc CXX=nvc++ FC=nvfortran p GT Phoenix -p-all python/3.10.10 +p-all python p-cpu gcc/12.3.0 openmpi/4.1.5 p-gpu nvhpc/24.5 hpcx/2.19-cuda cuda/12.1.1 p-gpu MFC_CUDA_CC=70,75,80,89,90 NVHPC_CUDA_HOME=$CUDA_HOME CC=nvc CXX=nvc++ FC=nvfortran @@ -101,4 +101,4 @@ 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" \ No newline at end of file +h-gpu MFC_CUDA_CC=100 NVHPC_CUDA_HOME="/apps/compilers/cuda/12.8.1" From d753a2e7afdefbafb6e74e990afc63ea3b303b1f Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 15:52:19 -0500 Subject: [PATCH 06/12] Update modules --- toolchain/modules | 7 ------- 1 file changed, 7 deletions(-) diff --git a/toolchain/modules b/toolchain/modules index a923d6f7d7..fa07294aff 100644 --- a/toolchain/modules +++ b/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 From 540f6786042b39b7410680c2e598ffa1975cb0ec Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 16:10:30 -0500 Subject: [PATCH 07/12] Update Python version in toolchain modules --- toolchain/modules | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/modules b/toolchain/modules index fa07294aff..7f39da9e0a 100644 --- a/toolchain/modules +++ b/toolchain/modules @@ -35,9 +35,9 @@ 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 +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=$CUDA_HOME CC=nvc CXX=nvc++ FC=nvfortran f OLCF Frontier From f3bf8cb76d9f3ca7f78b330ffae50d91987ace6c Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 16:11:21 -0500 Subject: [PATCH 08/12] Update minimum Python version requirement to 3.12 --- toolchain/bootstrap/python.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/bootstrap/python.sh b/toolchain/bootstrap/python.sh index 2da5ff3969..d8cc59e946 100644 --- a/toolchain/bootstrap/python.sh +++ b/toolchain/bootstrap/python.sh @@ -1,7 +1,7 @@ #!/bin/bash MFC_PYTHON_MIN_MAJOR=3 -MFC_PYTHON_MIN_MINOR=9 +MFC_PYTHON_MIN_MINOR=12 MFC_PYTHON_MIN_STR="$MFC_PYTHON_MIN_MAJOR.$MFC_PYTHON_MIN_MINOR" is_python_compatible() { From 4716ad1a7d6ba8b1f70ec41983297a0d7e2cd2f6 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 16:22:18 -0500 Subject: [PATCH 09/12] Update Python version in toolchain modules --- toolchain/modules | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/modules b/toolchain/modules index 7f39da9e0a..56470900b4 100644 --- a/toolchain/modules +++ b/toolchain/modules @@ -42,7 +42,7 @@ p-gpu MFC_CUDA_CC=70,75,80,89,90 NVHPC_CUDA_HOME=$CUDA_HOME CC=nvc CXX=nvc++ FC= f OLCF Frontier f-all cpe/25.03 rocm/6.3.1 -f-all cray-fftw cray-hdf5 cray-python cmake +f-all cray-fftw cray-hdf5 cray-python/3.11.5 cmake f-gpu craype-accel-amd-gfx90a rocprofiler-compute/3.0.0 d NCSA Delta From ec41906ff13e641b2a500c680f3a10937dfbf77e Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 16:22:34 -0500 Subject: [PATCH 10/12] Downgrade minimum Python version requirement to 3.11 --- toolchain/bootstrap/python.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/bootstrap/python.sh b/toolchain/bootstrap/python.sh index d8cc59e946..cc2be64be1 100644 --- a/toolchain/bootstrap/python.sh +++ b/toolchain/bootstrap/python.sh @@ -1,7 +1,7 @@ #!/bin/bash MFC_PYTHON_MIN_MAJOR=3 -MFC_PYTHON_MIN_MINOR=12 +MFC_PYTHON_MIN_MINOR=11 MFC_PYTHON_MIN_STR="$MFC_PYTHON_MIN_MAJOR.$MFC_PYTHON_MIN_MINOR" is_python_compatible() { From aae8d58b8a49888a586a1034dd0c21c9bf545de2 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 16:44:50 -0500 Subject: [PATCH 11/12] Remove duplicate CSCS Santis entries Removed duplicate entries for CSCS Santis in the modules file. --- toolchain/modules | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/toolchain/modules b/toolchain/modules index 56470900b4..fdb6f22be0 100644 --- a/toolchain/modules +++ b/toolchain/modules @@ -42,7 +42,7 @@ p-gpu MFC_CUDA_CC=70,75,80,89,90 NVHPC_CUDA_HOME=$CUDA_HOME CC=nvc CXX=nvc++ FC= f OLCF Frontier f-all cpe/25.03 rocm/6.3.1 -f-all cray-fftw cray-hdf5 cray-python/3.11.5 cmake +f-all cray-fftw cray-hdf5 cray-python cmake f-gpu craype-accel-amd-gfx90a rocprofiler-compute/3.0.0 d NCSA Delta @@ -82,10 +82,6 @@ san CSCS Santis san-all cmake python san-gpu nvhpc cuda cray-mpich -san CSCS Santis -san-all cmake python -san-gpu nvhpc cuda cray-mpich - h hipergator h-gpu nvhpc/25.9 h-gpu CUDA_HOME="/apps/compilers/cuda/12.8.1" From e2cf6b1d56a4eb5435d3656827d1c0f8775fddec Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 27 Nov 2025 17:01:16 -0500 Subject: [PATCH 12/12] Update toolchain/modules to modify Python dependencies Removed 'cray-python' from the f-all section and added 'python'. Updated f-gpu section to include 'python'. --- toolchain/modules | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/modules b/toolchain/modules index fdb6f22be0..65686085b6 100644 --- a/toolchain/modules +++ b/toolchain/modules @@ -42,8 +42,8 @@ p-gpu MFC_CUDA_CC=70,75,80,89,90 NVHPC_CUDA_HOME=$CUDA_HOME CC=nvc CXX=nvc++ FC= 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