Merge main

.devcontainer/.vscode/launch.json

@@ -0,0 +1,24 @@
+{
+  // Use IntelliSense to learn about possible attributes.
+  // Hover to view descriptions of existing attributes.
+  // For more information, visit: https://go.microsoft.com/fwlink/?linkid=830387
+  "version": "0.2.0",
+  "configurations": [
+    {
+      "name": "Python: Current File (just my code)",
+      "type": "python",
+      "request": "launch",
+      "program": "${file}",
+      "console": "integratedTerminal",
+      "justMyCode": true
+    },
+    {
+      "name": "Python: Current File (all)",
+      "type": "python",
+      "request": "launch",
+      "program": "${file}",
+      "console": "integratedTerminal",
+      "justMyCode": false
+    }
+  ]
+}

.devcontainer/Dockerfile

@@ -0,0 +1,5 @@
+FROM mcr.microsoft.com/devcontainers/python:1-3.10-bookworm
+RUN apt-get update \
+    && export DEBIAN_FRONTEND=noninteractive && apt-get install -y libboost-dev \
+    && apt-get clean && rm -rf /var/cache/apt/* && rm -rf /var/lib/apt/lists/* && rm -rf /tmp/*
+RUN curl -LsSf https://astral.sh/uv/install.sh | env UV_INSTALL_DIR="/bin" sh

.devcontainer/devcontainer.json

@@ -0,0 +1,49 @@
+// For format details, see https://aka.ms/devcontainer.json. For config options, see the
+// README at: https://github.com/devcontainers/templates/tree/main/src/python
+{
+  "name": "Python 3",
+  // Or use a Dockerfile or Docker Compose file. More info: https://containers.dev/guide/dockerfile
+  "build": {
+    "dockerfile": "Dockerfile"
+  },
+
+  // Features to add to the dev container. More info: https://containers.dev/features.
+  // "features": {},
+
+  // Use 'forwardPorts' to make a list of ports inside the container available locally.
+  // "forwardPorts": [],
+
+  // Use 'postCreateCommand' to run commands after the container is created.
+  "postCreateCommand": "bash .devcontainer/setup.sh",
+
+  "containerEnv": {
+    "PRE_COMMIT_HOME": "/workspaces/gt4py/.caches/pre-commit"
+  },
+
+  // Configure tool-specific properties.
+  "customizations": {
+    // Configure properties specific to VS Code.
+    "vscode": {
+      // Set *default* container specific settings.json values on container create.
+      "settings": {
+        "python.formatting.provider": "ruff",
+        "python.testing.pytestEnabled": true,
+        "python.defaultInterpreterPath": "/workspaces/gt4py/.venv/bin/python",
+        "files.insertFinalNewline": true,
+        "python.terminal.activateEnvironment": true,
+        "cmake.ignoreCMakeListsMissing": true
+      },
+      "extensions": [
+        "charliermarsh.ruff",
+        "donjayamanne.githistory",
+        "github.vscode-github-actions",
+        "lextudio.restructuredtext",
+        "ms-python.python",
+        "ms-vsliveshare.vsliveshare",
+        "swyddfa.esbonio"
+      ]
+    }
+  }
+  // Uncomment to connect as root instead. More info: https://aka.ms/dev-containers-non-root.
+  // "remoteUser": "root"
+}

.devcontainer/setup.sh

@@ -0,0 +1,10 @@
+#!/bin/sh
+
+ln -sfn /workspaces/gt4py/.devcontainer/.vscode /workspaces/gt4py/.vscode
+uv venv .venv
+source .venv/bin/activate
+uv pip install -r requirements-dev.txt
+uv pip install -e .
+uv pip install -i https://test.pypi.org/simple/ atlas4py
+pre-commit install --install-hooks
+deactivate

.github/pull_request_template.md

@@ -15,7 +15,7 @@ Delete this comment and add a proper description of the changes contained in thi
         - test: Adding missing tests or correcting existing tests
 
     <scope>: cartesian | eve | next | storage
-    # ONLY if changes are limited to a specific subsytem
+    # ONLY if changes are limited to a specific subsystem
 
 - PR Description:
 
@@ -27,7 +27,7 @@ Delete this comment and add a proper description of the changes contained in thi
 ## Requirements
 
 - [ ] All fixes and/or new features come with corresponding tests.
-- [ ] Important design decisions have been documented in the approriate ADR inside the [docs/development/ADRs/](docs/development/ADRs/Index.md) folder.
+- [ ] Important design decisions have been documented in the appropriate ADR inside the [docs/development/ADRs/](docs/development/ADRs/Index.md) folder.
 
 If this PR contains code authored by new contributors please make sure:
 

.gitignore

@@ -159,5 +159,5 @@ venv.bak/
 
 ### Others ###
 .obsidian
-
 coverage.json
+.caches

.gitpod/.vscode/launch.json

@@ -6,19 +6,28 @@
   "configurations": [
     {
       "name": "Python: Current File (just my code)",
-      "type": "python",
+      "type": "debugpy",
       "request": "launch",
       "program": "${file}",
       "console": "integratedTerminal",
       "justMyCode": true
     },
     {
       "name": "Python: Current File (all)",
-      "type": "python",
+      "type": "debugpy",
       "request": "launch",
       "program": "${file}",
       "console": "integratedTerminal",
       "justMyCode": false
+    },
+    {
+      "name": "Python: Debug Tests",
+      "type": "debugpy",
+      "request": "launch",
+      "program": "${file}",
+      "purpose": ["debug-test"],
+      "console": "integratedTerminal",
+      "justMyCode": true
     }
   ]
 }

.pre-commit-config.yaml

@@ -43,15 +43,14 @@ repos:
   - id: check-merge-conflict
   - id: check-toml
   - id: check-yaml
-  - id: debug-statements
 
 - repo: https://github.com/astral-sh/ruff-pre-commit
   ##[[[cog
   ## import re
   ## version = re.search('ruff==([0-9\.]*)', open("constraints.txt").read())[1]
   ## print(f"rev: v{version}")
   ##]]]
-  rev: v0.7.2
+  rev: v0.8.2
   ##[[[end]]]
   hooks:
     # Run the linter.
@@ -97,22 +96,23 @@ repos:
     - boltons==24.1.0
     - cached-property==2.0.1
     - click==8.1.7
-    - cmake==3.30.5
+    - cmake==3.31.1
     - cytoolz==1.0.0
     - deepdiff==8.0.1
     - devtools==0.12.2
     - diskcache==5.6.3
     - factory-boy==3.3.1
+    - filelock==3.16.1
     - frozendict==2.4.6
-    - gridtools-cpp==2.3.6
+    - gridtools-cpp==2.3.8
     - importlib-resources==6.4.5
     - jinja2==3.1.4
     - lark==1.2.2
-    - mako==1.3.6
-    - nanobind==2.2.0
-    - ninja==1.11.1.1
+    - mako==1.3.8
+    - nanobind==2.4.0
+    - ninja==1.11.1.2
     - numpy==1.24.4
-    - packaging==24.1
+    - packaging==24.2
     - pybind11==2.13.6
     - setuptools==75.3.0
     - tabulate==0.9.0

ci/base.Dockerfile

@@ -1,5 +1,6 @@
-ARG CUDA_VERSION=12.5.0
-FROM docker.io/nvidia/cuda:${CUDA_VERSION}-devel-ubuntu20.04
+ARG CUDA_VERSION=12.6.2
+ARG UBUNTU_VERSION=22.04
+FROM docker.io/nvidia/cuda:${CUDA_VERSION}-devel-ubuntu${UBUNTU_VERSION}
 ENV LANG C.UTF-8
 ENV LC_ALL C.UTF-8
 
@@ -22,7 +23,7 @@ RUN apt-get update -qq && apt-get install -qq -y --no-install-recommends \
     tk-dev \
     libffi-dev \
     liblzma-dev \
-    python-openssl \
+    $( [ "${UBUNTU_VERSION}" = "20.04" ] && echo "python-openssl" || echo "python3-openssl" ) \
     libreadline-dev \
     git \
     rustc \
@@ -55,4 +56,5 @@ RUN pyenv update && \
 ENV PATH="/root/.pyenv/shims:${PATH}"
 
 ARG CUPY_PACKAGE=cupy-cuda12x
-RUN pip install --upgrade pip setuptools wheel tox ${CUPY_PACKAGE}==12.3.0
+ARG CUPY_VERSION=13.3.0
+RUN pip install --upgrade pip setuptools wheel tox ${CUPY_PACKAGE}==${CUPY_VERSION}

ci/cscs-ci.yml

@@ -42,17 +42,21 @@ stages:
     DOCKERFILE: ci/base.Dockerfile
     # change to 'always' if you want to rebuild, even if target tag exists already (if-not-exists is the default, i.e. we could also skip the variable)
     CSCS_REBUILD_POLICY: if-not-exists
-    DOCKER_BUILD_ARGS: '["CUDA_VERSION=$CUDA_VERSION", "CUPY_PACKAGE=$CUPY_PACKAGE", "PYVERSION=$PYVERSION", "CI_PROJECT_DIR=$CI_PROJECT_DIR"]'
+    DOCKER_BUILD_ARGS: '["CUDA_VERSION=$CUDA_VERSION", "CUPY_PACKAGE=$CUPY_PACKAGE", "CUPY_VERSION=$CUPY_VERSION", "UBUNTU_VERSION=$UBUNTU_VERSION", "PYVERSION=$PYVERSION", "CI_PROJECT_DIR=$CI_PROJECT_DIR"]'
 .build_baseimage_x86_64:
   extends: [.container-builder-cscs-zen2, .build_baseimage]
   variables:
-    CUDA_VERSION: 11.2.2
+    CUDA_VERSION: 11.4.3
     CUPY_PACKAGE: cupy-cuda11x
+    CUPY_VERSION: 12.3.0 # latest version that supports cuda 11
+    UBUNTU_VERSION: 20.04  # 22.04 hangs on daint in some tests for unknown reasons.
 .build_baseimage_aarch64:
   extends: [.container-builder-cscs-gh200, .build_baseimage]
   variables:
-    CUDA_VERSION: 12.4.1
+    CUDA_VERSION: 12.6.2
     CUPY_PACKAGE: cupy-cuda12x
+    CUPY_VERSION: 13.3.0
+    UBUNTU_VERSION: 22.04
   # TODO: enable CI job when Todi is back in operational state
   when: manual