Merge branch 'main' into features/HAICON-tutorial

helmholtz-analytics · Dec 3, 2024 · 4f93136 · 4f93136
2 parents 432e345 + e6499cf
commit 4f93136
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diff --git a/.github/ISSUE_TEMPLATE/bug_report.yml b/.github/ISSUE_TEMPLATE/bug_report.yml
@@ -34,8 +34,7 @@ body:
       description: What version of Heat are you running?
       options:
         - main (development branch)
-        - 1.4.x
-        - 1.3.x
+        - 1.5.x
     validations:
       required: true
   - type: dropdown
@@ -54,6 +53,7 @@ body:
       label: PyTorch version
       description: What PyTorch version?
       options:
+        - 2.5
         - 2.4
         - 2.3
         - 2.2

diff --git a/.github/release-drafter.yml b/.github/release-drafter.yml
@@ -1,3 +1,4 @@
+filter-by-commitish: true
 categories:
   - title: '🔥 Features'
     labels:

diff --git a/.github/workflows/CIBase.yml b/.github/workflows/CIBase.yml
@@ -14,7 +14,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 

diff --git a/.github/workflows/CommentPR.yml b/.github/workflows/CommentPR.yml
@@ -16,7 +16,7 @@ jobs:
       PR_NR: ${{ steps.step1.outputs.test }}
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
@@ -65,11 +65,11 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
-      - uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+      - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
 
       - name: 'Trigger Workflow'
         run: |

diff --git a/.github/workflows/ReceivePR.yml b/.github/workflows/ReceivePR.yml
@@ -13,14 +13,14 @@ jobs:
 
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
-      - uses: actions/checkout@v4.1.7
+      - uses: actions/checkout@v4.2.2
 
       - name: Use Python
-        uses: actions/setup-python@39cd14951b08e74b54015e9e001cdefcf80e669f # v5.1.1
+        uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5.3.0
         with:
           python-version: 3.9
           architecture: x64
@@ -42,7 +42,7 @@ jobs:
         run: |
           mkdir -p ./pr
           echo $PR_NUMBER > ./pr/pr_number
-      - uses: actions/upload-artifact@834a144ee995460fba8ed112a2fc961b36a5ec5a # v4.3.6
+      - uses: actions/upload-artifact@b4b15b8c7c6ac21ea08fcf65892d2ee8f75cf882 # v4.4.3
         with:
           name: pr_number
           path: pr/
diff --git a/.github/workflows/backport.yml b/.github/workflows/backport.yml
@@ -12,7 +12,7 @@ jobs:
     # Don't run on closed unmerged pull requests
     if: github.event.pull_request.merged
     steps:
-      - uses: actions/checkout@v4.1.7
+      - uses: actions/checkout@v4.2.2
       - name: Create backport pull requests
         uses: korthout/backport-action@v3
         with:

diff --git a/.github/workflows/bench_trigger.yml b/.github/workflows/bench_trigger.yml
@@ -12,12 +12,12 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: Checkout
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
       - name: Trigger benchmarks (PR)
         id: setup_pr
         if: contains(github.event.pull_request.labels.*.name, 'benchmark PR')

diff --git a/.github/workflows/changelog-updater.yml b/.github/workflows/changelog-updater.yml
@@ -14,12 +14,12 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: Checkout code
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
         with:
           repository: helmholtz-analytics/heat
           ref: ${{ github.event.release.target_commitish }}
@@ -38,7 +38,7 @@ jobs:
           RELEASE_TITLE: ${{ format('# {0} - {1}', github.event.release.tag_name, github.event.release.name) }}
           RELEASE_BODY: ${{ github.event.release.body }}
       - name: Create PR
-        uses: peter-evans/create-pull-request@c5a7806660adbe173f04e3e038b0ccdcd758773c # v6.1.0
+        uses: peter-evans/create-pull-request@5e914681df9dc83aa4e4905692ca88beb2f9e91f # v7.0.5
         with:
             base: main
             branch: post-release-changelog-update

diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
@@ -17,13 +17,14 @@ jobs:
           - 3.11
           - 3.12
         mpi: [ 'openmpi' ]
-        install-options: [ '.', '.[hdf5,netcdf]' ]
+        install-options: [ '.', '.[hdf5,netcdf,pandas]' ]
         pytorch-version:
           - 'torch==2.0.1 torchvision==0.15.2 torchaudio==2.0.2'
           - 'torch==2.1.2 torchvision==0.16.2 torchaudio==2.1.2'
           - 'torch==2.2.2 torchvision==0.17.2 torchaudio==2.2.2'
           - 'torch==2.3.1 torchvision==0.18.1 torchaudio==2.3.1'
-          - 'torch==2.4.0 torchvision==0.19.0 torchaudio==2.4.0'
+          - 'torch==2.4.1 torchvision==0.19.1 torchaudio==2.4.1'
+          - 'torch==2.5.1 torchvision==0.20.1 torchaudio==2.5.1'
         exclude:
           - py-version: '3.12'
             pytorch-version: 'torch==2.0.1 torchvision==0.15.2 torchaudio==2.0.2'
@@ -36,18 +37,18 @@ jobs:
     name: Python ${{ matrix.py-version }} with ${{ matrix.pytorch-version }}; options ${{ matrix.install-options }}
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: Checkout
-        uses: actions/checkout@v4.1.7
+        uses: actions/checkout@v4.2.2
       - name: Setup MPI
         uses: mpi4py/setup-mpi@v1.2.0
         with:
           mpi: ${{ matrix.mpi }}
       - name: Use Python ${{ matrix.py-version }}
-        uses: actions/setup-python@39cd14951b08e74b54015e9e001cdefcf80e669f # v5.1.1
+        uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5.3.0
         with:
           python-version: ${{ matrix.py-version }}
           architecture: x64

diff --git a/.github/workflows/codeql.yml b/.github/workflows/codeql.yml
@@ -41,16 +41,16 @@ jobs:
 
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: Checkout repository
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
 
       # Initializes the CodeQL tools for scanning.
       - name: Initialize CodeQL
-        uses: github/codeql-action/init@2c779ab0d087cd7fe7b826087247c2c81f27bfa6 # v3.26.5
+        uses: github/codeql-action/init@f09c1c0a94de965c15400f5634aa42fac8fb8f88 # v3.27.5
         with:
           languages: ${{ matrix.language }}
           # If you wish to specify custom queries, you can do so here or in a config file.
@@ -60,7 +60,7 @@ jobs:
       # Autobuild attempts to build any compiled languages  (C/C++, C#, or Java).
       # If this step fails, then you should remove it and run the build manually (see below)
       - name: Autobuild
-        uses: github/codeql-action/autobuild@2c779ab0d087cd7fe7b826087247c2c81f27bfa6 # v3.26.5
+        uses: github/codeql-action/autobuild@f09c1c0a94de965c15400f5634aa42fac8fb8f88 # v3.27.5
 
       # ℹ️ Command-line programs to run using the OS shell.
       # 📚 See https://docs.github.com/en/actions/using-workflows/workflow-syntax-for-github-actions#jobsjob_idstepsrun
@@ -73,6 +73,6 @@ jobs:
       #   ./location_of_script_within_repo/buildscript.sh
 
       - name: Perform CodeQL Analysis
-        uses: github/codeql-action/analyze@2c779ab0d087cd7fe7b826087247c2c81f27bfa6 # v3.26.5
+        uses: github/codeql-action/analyze@f09c1c0a94de965c15400f5634aa42fac8fb8f88 # v3.27.5
         with:
           category: "/language:${{matrix.language}}"
diff --git a/.github/workflows/create-branch-on-assignment.yml b/.github/workflows/create-branch-on-assignment.yml
@@ -11,11 +11,11 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: Create Issue Branch
-        uses: robvanderleek/create-issue-branch@bf29f2e55d4eb7225f48b71207ad4fc2c561abeb # main
+        uses: robvanderleek/create-issue-branch@b82c47ed14db0b7ee2f6a501bf566813440592a7 # main
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
diff --git a/.github/workflows/dependency-review.yml b/.github/workflows/dependency-review.yml
@@ -17,11 +17,11 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: 'Checkout Repository'
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
       - name: 'Dependency Review'
-        uses: actions/dependency-review-action@5a2ce3f5b92ee19cbb1541a4984c76d921601d7c # v4.3.4
+        uses: actions/dependency-review-action@3b139cfc5fae8b618d3eae3675e383bb1769c019 # v4.5.0
diff --git a/.github/workflows/docker.yml b/.github/workflows/docker.yml
@@ -25,19 +25,19 @@ jobs:
         runs-on: ubuntu-latest
         steps:
             - name: Harden Runner
-              uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+              uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
               with:
                 egress-policy: audit
 
             -
               name: Checkout
-              uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+              uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
             -
               name: Set up QEMU
               uses: docker/setup-qemu-action@49b3bc8e6bdd4a60e6116a5414239cba5943d3cf # v3.2.0
             -
               name: Set up Docker Buildx
-              uses: docker/setup-buildx-action@988b5a0280414f521da01fcc63a27aeeb4b104db # v3.6.1
+              uses: docker/setup-buildx-action@c47758b77c9736f4b2ef4073d4d51994fabfe349 # v3.7.1
               with:
                 driver: docker
             -
@@ -49,7 +49,7 @@ jobs:
                 password: ${{ secrets.GITHUB_TOKEN }}
             -
               name: Build
-              uses: docker/build-push-action@5cd11c3a4ced054e52742c5fd54dca954e0edd85 # v6.7.0
+              uses: docker/build-push-action@4f58ea79222b3b9dc2c8bbdd6debcef730109a75 # v6.9.0
               with:
                 file: docker/Dockerfile.release
                 build-args: |
@@ -65,7 +65,7 @@ jobs:
                 docker run -v `pwd`:`pwd` -w `pwd` --rm test_${{ inputs.name }} pytest
             -
               name: Build and push
-              uses: docker/build-push-action@5cd11c3a4ced054e52742c5fd54dca954e0edd85 # v6.7.0
+              uses: docker/build-push-action@4f58ea79222b3b9dc2c8bbdd6debcef730109a75 # v6.9.0
               with:
                 file: docker/Dockerfile.release
                 build-args: |

diff --git a/.github/workflows/inactivity.yml b/.github/workflows/inactivity.yml
@@ -14,7 +14,7 @@ jobs:
       pull-requests: write
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 

diff --git a/.github/workflows/latest-pytorch-support.yml b/.github/workflows/latest-pytorch-support.yml
@@ -18,11 +18,11 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
-      - uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+      - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
       - uses: JasonEtco/create-an-issue@1b14a70e4d8dc185e5cc76d3bec9eab20257b2c5 # v2.9.2
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
@@ -34,7 +34,7 @@ jobs:
           update_existing: true
           search_existing: open
       - name: Check out new branch
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
         with:
           token: ${{ secrets.GITHUB_TOKEN }}
           ref: '${{ inputs.working_branch }}'
@@ -50,7 +50,7 @@ jobs:
         run: |
           sed -i '/torch>=/ s/'"${{ env.previous_pytorch }}"'/'"${{ env.setup_pytorch }}"'/g' setup.py
       - name: Create PR from branch
-        uses: peter-evans/create-pull-request@c5a7806660adbe173f04e3e038b0ccdcd758773c # v6.1.0
+        uses: peter-evans/create-pull-request@5e914681df9dc83aa4e4905692ca88beb2f9e91f # v7.0.5
         with:
             base: ${{ inputs.base_branch }}
             branch: ${{ inputs.working_branch }}

diff --git a/.github/workflows/markdown-links-check.yml b/.github/workflows/markdown-links-check.yml
@@ -12,11 +12,11 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
-      - uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # master
+      - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # master
       - uses: gaurav-nelson/github-action-markdown-link-check@5c5dfc0ac2e225883c0e5f03a85311ec2830d368 # v1
         # checks all markdown files from root but ignores subfolders
         # By Removing the max-depth variable we can modify it -> to check all the .md files in the entire repo.

diff --git a/.github/workflows/pytorch-latest-release.yml b/.github/workflows/pytorch-latest-release.yml
@@ -14,11 +14,11 @@ jobs:
     if: ${{ github.repository }} == 'hemlholtz-analytics/heat'
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
-      - uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+      - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
         with:
           ref: '${{ env.base_branch }}'
       - name: Fetch PyTorch release version

diff --git a/.github/workflows/release-drafter.yml b/.github/workflows/release-drafter.yml
@@ -15,7 +15,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 

diff --git a/.github/workflows/scorecard.yml b/.github/workflows/scorecard.yml
@@ -32,12 +32,12 @@ jobs:
 
     steps:
       - name: Harden Runner
-        uses: step-security/harden-runner@5c7944e73c4c2a096b17a9cb74d65b6c2bbafbde # v2.9.1
+        uses: step-security/harden-runner@0080882f6c36860b6ba35c610c98ce87d4e2f26f # v2.10.2
         with:
           egress-policy: audit
 
       - name: "Checkout code"
-        uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+        uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2
         with:
           persist-credentials: false
 
@@ -64,14 +64,14 @@ jobs:
       # Upload the results as artifacts (optional). Commenting out will disable uploads of run results in SARIF
       # format to the repository Actions tab.
       - name: "Upload artifact"
-        uses: actions/upload-artifact@834a144ee995460fba8ed112a2fc961b36a5ec5a # v4.3.6
+        uses: actions/upload-artifact@b4b15b8c7c6ac21ea08fcf65892d2ee8f75cf882 # v4.4.3
         with:
           name: SARIF file
           path: results.sarif
           retention-days: 5
 
       # Upload the results to GitHub's code scanning dashboard.
       - name: "Upload to code-scanning"
-        uses: github/codeql-action/upload-sarif@2c779ab0d087cd7fe7b826087247c2c81f27bfa6 # v3.26.5
+        uses: github/codeql-action/upload-sarif@f09c1c0a94de965c15400f5634aa42fac8fb8f88 # v3.27.5
         with:
           sarif_file: results.sarif