CI: add ML ROCm stack (#45302)

* add ML ROCm stack

* add suggested changes

* remove py-torch and py-tensorflow-estimator

* add TF_ROCM_AMDGPU_TARGETS env variable and remove packages from pipeline

* remove py-jax and py-xgboost

2 files changed, 116 insertions, 0 deletions

diff --git a/share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml b/share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml
index f81a45a0b5..ce201d402d 100644
--- a/share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml
+++ b/share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml
@@ -726,6 +726,29 @@ ml-linux-x86_64-cuda-build:
     - artifacts: True
       job: ml-linux-x86_64-cuda-generate
 
+########################################
+# Machine Learning - Linux x86_64 (ROCm)
+########################################
+.ml-linux-x86_64-rocm:
+  extends: [ ".linux_x86_64_v3" ]
+  variables:
+    SPACK_CI_STACK_NAME: ml-linux-x86_64-rocm
+
+ml-linux-x86_64-rocm-generate:
+  extends: [ ".generate-x86_64", .ml-linux-x86_64-rocm, ".tags-x86_64_v4" ]
+  image: ghcr.io/spack/ubuntu-22.04:v2024-05-07
+
+ml-linux-x86_64-rocm-build:
+  extends: [ ".build", ".ml-linux-x86_64-rocm" ]
+  trigger:
+    include:
+      - artifact: jobs_scratch_dir/cloud-ci-pipeline.yml
+        job: ml-linux-x86_64-rocm-generate
+    strategy: depend
+  needs:
+    - artifacts: True
+      job: ml-linux-x86_64-rocm-generate
+
 #########################################
 # Machine Learning - Darwin aarch64 (MPS)
 #########################################
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-rocm/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-rocm/spack.yaml
new file mode 100644
index 0000000000..7a236b136d
--- /dev/null
+++ b/share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-rocm/spack.yaml
@@ -0,0 +1,93 @@
+spack:
+  view: false
+  packages:
+    all:
+      require:
+      - target=x86_64_v3
+      - ~cuda
+      - +rocm
+      - amdgpu_target=gfx90a
+    gl:
+      require: "osmesa"
+    mpi:
+      require: openmpi
+
+  specs:
+    # Horovod
+    # - py-horovod
+
+    # Hugging Face
+    - py-transformers
+
+    # JAX
+    # Does not yet support Spack-installed ROCm
+    # - py-jax
+    # - py-jaxlib
+
+    # Keras
+    - py-keras backend=tensorflow
+    # - py-keras backend=jax
+    # - py-keras backend=torch
+    - py-keras-applications
+    - py-keras-preprocessing
+    - py-keras2onnx
+
+    # PyTorch
+    # Does not yet support Spack-installed ROCm
+    # - py-botorch
+    # - py-efficientnet-pytorch
+    # - py-gpytorch
+    # - py-kornia
+    # - py-lightning
+    # - py-pytorch-gradual-warmup-lr
+    # - py-pytorch-lightning
+    # - py-segmentation-models-pytorch
+    # - py-timm
+    # - py-torch
+    # - py-torch-cluster
+    # - py-torch-geometric
+    # - py-torch-nvidia-apex
+    # - py-torch-scatter
+    # - py-torch-sparse
+    # - py-torch-spline-conv
+    # - py-torchaudio
+    # - py-torchdata
+    # - py-torchfile
+    # - py-torchgeo
+    # - py-torchmetrics
+    # - py-torchtext
+    # - py-torchvision
+    # - py-vector-quantize-pytorch
+
+    # scikit-learn
+    - py-scikit-learn
+    - py-scikit-learn-extra
+
+    # TensorBoard
+    - py-tensorboard
+    - py-tensorboard-data-server
+    - py-tensorboard-plugin-wit
+    - py-tensorboardx
+
+    # TensorFlow
+    - py-tensorflow
+    - py-tensorflow-datasets
+    # version 2.16 is not available
+    # - py-tensorflow-estimator
+    - py-tensorflow-hub
+    - py-tensorflow-metadata
+    - py-tensorflow-probability
+
+    # XGBoost
+    # Does not yet support Spack-installed ROCm
+    # - py-xgboost
+
+  ci:
+    pipeline-gen:
+    - build-job:
+        image:
+          name: ghcr.io/spack/ubuntu-22.04:v2024-05-07
+          entrypoint: ['']
+
+  cdash:
+    build-group: Machine Learning