From 5f0f0a1b639fdff143f3fe05f83a01df768f950d Mon Sep 17 00:00:00 2001 From: Thorsten Kurth Date: Wed, 15 Jul 2026 23:39:44 -0700 Subject: [PATCH 1/5] modernizing Dockerfile syntax --- docker/Dockerfile | 4 ++-- docker/Dockerfile.aws | 8 ++++---- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 01e51148..ca7a40b6 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -74,8 +74,8 @@ RUN pip install git+https://github.com/NVIDIA/physicsnemo.git@v1.3.0 # torch-harmonics RUN pip install setuptools_scm -ENV FORCE_CUDA_EXTENSION 1 -ENV TORCH_CUDA_ARCH_LIST "8.0 8.6 8.7 9.0 10.0+PTX" +ENV FORCE_CUDA_EXTENSION=1 +ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0 10.0+PTX" RUN cd /opt && git clone https://github.com/NVIDIA/torch-harmonics.git && \ cd torch-harmonics && \ pip install --no-build-isolation -e . diff --git a/docker/Dockerfile.aws b/docker/Dockerfile.aws index c1549ffe..0e0b354d 100644 --- a/docker/Dockerfile.aws +++ b/docker/Dockerfile.aws @@ -107,7 +107,7 @@ RUN cd /opt && git clone https://github.com/awslabs/aws-c-auth.git && \ make install # 7. aws-c-s3 (final target for HDF5) -RUn cd /opt && git clone https://github.com/awslabs/aws-c-s3.git && \ +RUN cd /opt && git clone https://github.com/awslabs/aws-c-s3.git && \ cd aws-c-s3 && \ mkdir build && cd build && \ cmake .. -DCMAKE_BUILD_TYPE=Release && \ @@ -156,9 +156,9 @@ RUN pip install "git+https://github.com/google-research/weatherbench2.git" RUN pip install --ignore-installed "git+https://github.com/NVIDIA/mlperf-common.git" # torch-harmonics -ENV FORCE_CUDA_EXTENSION 1 -ENV TORCH_CUDA_ARCH_LIST "8.0 8.6 8.7 9.0 10.0 12.0+PTX" -ENV HARMONICS_VERSION 0.8.5 +ENV FORCE_CUDA_EXTENSION=1 +ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0 10.0 12.0+PTX" +ENV HARMONICS_VERSION=0.8.5 RUN cd /opt && git clone https://github.com/NVIDIA/torch-harmonics.git && \ cd torch-harmonics && \ pip install --no-build-isolation -e . From bfb46c65cdb45eeb7689aac5846ac38e96dcdddc Mon Sep 17 00:00:00 2001 From: Thorsten Kurth Date: Thu, 16 Jul 2026 08:43:33 +0200 Subject: [PATCH 2/5] Modify TORCH_CUDA_ARCH_LIST in Dockerfile Updated TORCH_CUDA_ARCH_LIST to include '9.0a' and '10.0a'. --- docker/Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index ca7a40b6..72fc5a71 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -75,7 +75,7 @@ RUN pip install git+https://github.com/NVIDIA/physicsnemo.git@v1.3.0 # torch-harmonics RUN pip install setuptools_scm ENV FORCE_CUDA_EXTENSION=1 -ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0 10.0+PTX" +ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0a 10.0a+PTX" RUN cd /opt && git clone https://github.com/NVIDIA/torch-harmonics.git && \ cd torch-harmonics && \ pip install --no-build-isolation -e . @@ -90,4 +90,4 @@ COPY makani /opt/makani/makani COPY tests /opt/makani/tests COPY pyproject.toml /opt/makani/pyproject.toml COPY README.md /opt/makani/README.md -RUN cd /opt/makani && pip install --no-deps -e . \ No newline at end of file +RUN cd /opt/makani && pip install --no-deps -e . From 706eca02f8562d79ea132dd1710efe29b08190f3 Mon Sep 17 00:00:00 2001 From: Thorsten Kurth Date: Thu, 16 Jul 2026 08:43:57 +0200 Subject: [PATCH 3/5] Modify TORCH_CUDA_ARCH_LIST in Dockerfile.aws Updated TORCH_CUDA_ARCH_LIST to include '9.0a' and '10.0a'. --- docker/Dockerfile.aws | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docker/Dockerfile.aws b/docker/Dockerfile.aws index 0e0b354d..5a445c89 100644 --- a/docker/Dockerfile.aws +++ b/docker/Dockerfile.aws @@ -157,7 +157,7 @@ RUN pip install --ignore-installed "git+https://github.com/NVIDIA/mlperf-common. # torch-harmonics ENV FORCE_CUDA_EXTENSION=1 -ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0 10.0 12.0+PTX" +ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0a 10.0a 12.0+PTX" ENV HARMONICS_VERSION=0.8.5 RUN cd /opt && git clone https://github.com/NVIDIA/torch-harmonics.git && \ cd torch-harmonics && \ @@ -176,4 +176,4 @@ COPY makani /opt/makani/makani COPY tests /opt/makani/tests COPY pyproject.toml /opt/makani/pyproject.toml COPY README.md /opt/makani/README.md -RUN cd /opt/makani && pip install -e . \ No newline at end of file +RUN cd /opt/makani && pip install -e . From a4018f9ce22a244ed0877d5caa6e99af7134693d Mon Sep 17 00:00:00 2001 From: Thorsten Kurth Date: Wed, 15 Jul 2026 23:54:25 -0700 Subject: [PATCH 4/5] making onnxruntime gpu optional --- docker/Dockerfile | 3 ++- docker/Dockerfile.aws | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index ca7a40b6..ebbdd8cd 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -27,7 +27,8 @@ RUN apt remove cmake -y && \ RUN pip install mpi4py # install onnx -RUN pip install onnxruntime onnxruntime-gpu +RUN pip install onnxruntime && \ + if [ "$(uname -m)" = "x86_64" ]; then pip install onnxruntime-gpu; fi # hdf5 and h5py ENV HDF5_VERSION=2.0.0 diff --git a/docker/Dockerfile.aws b/docker/Dockerfile.aws index 0e0b354d..15279254 100644 --- a/docker/Dockerfile.aws +++ b/docker/Dockerfile.aws @@ -30,7 +30,8 @@ RUN apt remove cmake -y && \ RUN pip install mpi4py # install onnx -RUN pip install onnxruntime onnxruntime-gpu +RUN pip install onnxruntime && \ + if [ "$(uname -m)" = "x86_64" ]; then pip install onnxruntime-gpu; fi # install AWS prereqs for HDF5 RUN cd /opt && git clone https://github.com/awslabs/aws-c-common.git && \ From 19a7b7177be9d48fcdb5ed335eace7c542f9fa49 Mon Sep 17 00:00:00 2001 From: Thorsten Kurth Date: Wed, 15 Jul 2026 23:59:21 -0700 Subject: [PATCH 5/5] removing dummy env --- docker/Dockerfile.aws | 1 - 1 file changed, 1 deletion(-) diff --git a/docker/Dockerfile.aws b/docker/Dockerfile.aws index 4f4bf58c..db099044 100644 --- a/docker/Dockerfile.aws +++ b/docker/Dockerfile.aws @@ -159,7 +159,6 @@ RUN pip install --ignore-installed "git+https://github.com/NVIDIA/mlperf-common. # torch-harmonics ENV FORCE_CUDA_EXTENSION=1 ENV TORCH_CUDA_ARCH_LIST="8.0 8.6 8.7 9.0a 10.0a 12.0+PTX" -ENV HARMONICS_VERSION=0.8.5 RUN cd /opt && git clone https://github.com/NVIDIA/torch-harmonics.git && \ cd torch-harmonics && \ pip install --no-build-isolation -e .