Merge branch 'master' into qm40-dataset

pyg-team · Dec 20, 2024 · 08a7680 · 08a7680
2 parents ee6f352 + ab2b458
commit 08a7680
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diff --git a/.github/actions/setup/action.yml b/.github/actions/setup/action.yml
@@ -3,16 +3,16 @@ name: Setup
 inputs:
   python-version:
     required: false
-    default: '3.8'
+    default: '3.9'
   torch-version:
     required: false
-    default: '2.4.0'
+    default: '2.5.0'
   cuda-version:
     required: false
     default: cpu
   torchvision-version:
     required: false
-    default: '0.19.0'
+    default: '0.20.0'
   full_install:
     required: false
     default: true
@@ -22,14 +22,19 @@ runs:
 
   steps:
     - name: Set up Python ${{ inputs.python-version }}
-      uses: actions/setup-python@v4.3.0
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ inputs.python-version }}
         check-latest: true
         cache: pip
         cache-dependency-path: |
           pyproject.toml
 
+    - name: Install numpy
+      run: |
+        pip install "numpy<2"
+      shell: bash
+
     - name: Install PyTorch ${{ inputs.torch-version }}+${{ inputs.cuda-version }}
       if: ${{ inputs.torch-version != 'nightly' }}
       run: |
@@ -56,13 +61,13 @@ runs:
       shell: bash
 
     - name: Install faiss-cpu
-      if: ${{ inputs.full_install == 'true' && inputs.cuda-version == 'cpu' && runner.os != 'macOS' }}
+      if: ${{ inputs.full_install == 'true' && inputs.cuda-version == 'cpu' && runner.os == 'Linux' }}
       run: |
         pip install faiss-cpu==1.7.2
       shell: bash
 
     - name: Install faiss-gpu
-      if: ${{ inputs.full_install == 'true' && inputs.cuda-version != 'cpu' }}
+      if: ${{ inputs.full_install == 'true' && inputs.cuda-version != 'cpu' && runner.os == 'Linux' }}
       run: |
         pip install faiss-gpu==1.7.2
       shell: bash

diff --git a/.github/workflows/building_pyg_conda.yml b/.github/workflows/building_pyg_conda.yml
@@ -10,74 +10,26 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-latest, macos-14, windows-latest]
-        python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']
-        torch-version: [1.12.0, 1.13.0, 2.0.0, 2.1.0, 2.2.0]
-        cuda-version: ['cpu', 'cu113', 'cu116', 'cu117', 'cu118', 'cu121']
+        os: [ubuntu-20.04, macos-14, windows-2019]
+        python-version: ['3.9', '3.10', '3.11', '3.12']
+        torch-version: [2.4.0, 2.5.0]
+        cuda-version: ['cpu', 'cu118', 'cu121', 'cu124']
         exclude:
-          - torch-version: 1.12.0
-            python-version: '3.12'
-          - torch-version: 1.13.0
-            python-version: '3.12'
-          - torch-version: 2.0.0
-            python-version: '3.12'
-          - torch-version: 2.1.0
-            python-version: '3.12'
-          - torch-version: 1.12.0
-            python-version: '3.11'
-          - torch-version: 1.12.0
-            cuda-version: 'cu117'
-          - torch-version: 1.12.0
-            cuda-version: 'cu118'
-          - torch-version: 1.12.0
-            cuda-version: 'cu121'
-          - torch-version: 1.13.0
-            python-version: '3.11'
-          - torch-version: 1.13.0
-            cuda-version: 'cu113'
-          - torch-version: 1.13.0
-            cuda-version: 'cu118'
-          - torch-version: 1.13.0
-            cuda-version: 'cu121'
-          - torch-version: 2.0.0
-            cuda-version: 'cu113'
-          - torch-version: 2.0.0
-            cuda-version: 'cu116'
-          - torch-version: 1.13.0
-            cuda-version: 'cu121'
-          - torch-version: 2.1.0
-            cuda-version: 'cu113'
-          - torch-version: 2.1.0
-            cuda-version: 'cu116'
-          - torch-version: 2.1.0
-            cuda-version: 'cu117'
-          - torch-version: 2.2.0
-            cuda-version: 'cu113'
-          - torch-version: 2.2.0
-            cuda-version: 'cu116'
-          - torch-version: 2.2.0
-            cuda-version: 'cu117'
-          - os: macos-14
-            cuda-version: 'cu113'
-          - os: macos-14
-            cuda-version: 'cu116'
-          - os: macos-14
-            cuda-version: 'cu117'
+          - torch-version: 2.3.0
+            cuda-version: 'cu124'
           - os: macos-14
             cuda-version: 'cu118'
           - os: macos-14
             cuda-version: 'cu121'
           - os: macos-14
-            python-version: '3.8'
-          - os: macos-14
-            python-version: '3.9'
+            cuda-version: 'cu124'
 
     steps:
       - name: Checkout repository
         uses: actions/checkout@v4
 
       - name: Set up Conda for Python ${{ matrix.python-version }}
-        uses: conda-incubator/setup-miniconda@v2
+        uses: conda-incubator/setup-miniconda@v3
         with:
           python-version: ${{ matrix.python-version }}
 

diff --git a/.github/workflows/building_rusty1s_conda.yml b/.github/workflows/building_rusty1s_conda.yml
@@ -10,74 +10,26 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-latest, macos-14, windows-latest]
-        python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']
-        torch-version: [1.12.0, 1.13.0, 2.0.0, 2.1.0, 2.2.0]
-        cuda-version: ['cpu', 'cu113', 'cu116', 'cu117', 'cu118', 'cu121']
+        os: [ubuntu-20.04, macos-14, windows-2019]
+        python-version: ['3.9', '3.10', '3.11', '3.12']
+        torch-version: [2.4.0, 2.5.0]
+        cuda-version: ['cpu', 'cu118', 'cu121', 'cu124']
         exclude:
-          - torch-version: 1.12.0
-            python-version: '3.12'
-          - torch-version: 1.13.0
-            python-version: '3.12'
-          - torch-version: 2.0.0
-            python-version: '3.12'
-          - torch-version: 2.1.0
-            python-version: '3.12'
-          - torch-version: 1.12.0
-            python-version: '3.11'
-          - torch-version: 1.12.0
-            cuda-version: 'cu117'
-          - torch-version: 1.12.0
-            cuda-version: 'cu118'
-          - torch-version: 1.12.0
-            cuda-version: 'cu121'
-          - torch-version: 1.13.0
-            python-version: '3.11'
-          - torch-version: 1.13.0
-            cuda-version: 'cu113'
-          - torch-version: 1.13.0
-            cuda-version: 'cu118'
-          - torch-version: 1.13.0
-            cuda-version: 'cu121'
-          - torch-version: 2.0.0
-            cuda-version: 'cu113'
-          - torch-version: 2.0.0
-            cuda-version: 'cu116'
-          - torch-version: 1.13.0
-            cuda-version: 'cu121'
-          - torch-version: 2.1.0
-            cuda-version: 'cu113'
-          - torch-version: 2.1.0
-            cuda-version: 'cu116'
-          - torch-version: 2.1.0
-            cuda-version: 'cu117'
-          - torch-version: 2.2.0
-            cuda-version: 'cu113'
-          - torch-version: 2.2.0
-            cuda-version: 'cu116'
-          - torch-version: 2.2.0
-            cuda-version: 'cu117'
-          - os: macos-14
-            cuda-version: 'cu113'
-          - os: macos-14
-            cuda-version: 'cu116'
-          - os: macos-14
-            cuda-version: 'cu117'
+          - torch-version: 2.3.0
+            cuda-version: 'cu124'
           - os: macos-14
             cuda-version: 'cu118'
           - os: macos-14
             cuda-version: 'cu121'
           - os: macos-14
-            python-version: '3.8'
-          - os: macos-14
-            python-version: '3.9'
+            cuda-version: 'cu124'
 
     steps:
       - name: Checkout repository
         uses: actions/checkout@v4
 
       - name: Set up Conda for Python ${{ matrix.python-version }}
-        uses: conda-incubator/setup-miniconda@v2
+        uses: conda-incubator/setup-miniconda@v3
         with:
           python-version: ${{ matrix.python-version }}
 

diff --git a/.github/workflows/dist_testing.yml b/.github/workflows/dist_testing.yml
@@ -6,6 +6,11 @@ on:  # yamllint disable-line rule:truthy
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   dist_pytest:

diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml
@@ -6,6 +6,11 @@ on:  # yamllint disable-line rule:truthy
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   make_html:

diff --git a/.github/workflows/full_testing.yml b/.github/workflows/full_testing.yml
@@ -15,8 +15,8 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, windows-latest, macos-14]
-        python-version: ['3.8', '3.10']
-        torch-version: [1.13.0, 2.0.0, 2.1.0, 2.2.0, 2.3.0, 2.4.0, nightly]
+        python-version: ['3.9', '3.10']
+        torch-version: [1.13.0, 2.0.0, 2.1.0, 2.2.0, 2.3.0, 2.4.0, 2.5.0, nightly]
         include:
           - torch-version: 1.13.0
             torchvision-version: 0.14.0
@@ -30,11 +30,11 @@ jobs:
             torchvision-version: 0.18.0
           - torch-version: 2.4.0
             torchvision-version: 0.19.0
+          - torch-version: 2.5.0
+            torchvision-version: 0.20.0
           - torch-version: nightly
             torchvision-version: nightly
         exclude:
-          - os: macos-14
-            python-version: '3.8'
           - os: macos-14
             torch-version: 1.13.0
           - os: macos-14

diff --git a/.github/workflows/latest_testing.yml b/.github/workflows/latest_testing.yml
@@ -6,6 +6,11 @@ on:  # yamllint disable-line rule:truthy
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   latest_pytest:

diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml
@@ -6,6 +6,11 @@ on:  # yamllint disable-line rule:truthy
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   mypy:

diff --git a/.github/workflows/minimal_testing.yml b/.github/workflows/minimal_testing.yml
@@ -1,11 +1,16 @@
-name: Testing minimal PyTorch 2.4
+name: Testing minimal PyTorch 2.5
 
 on:  # yamllint disable-line rule:truthy
   push:
     branches:
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   minimal_pytest:

diff --git a/.github/workflows/nightly.yml b/.github/workflows/nightly.yml
@@ -5,6 +5,11 @@ on:  # yamllint disable-line rule:truthy
   schedule:
     - cron: "0 6 * * *"  # Everyday at 6:00am UTC/10:00pm PST
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   build:
@@ -16,9 +21,9 @@ jobs:
         uses: actions/checkout@v4
 
       - name: Set up Python
-        uses: actions/setup-python@v4.3.0
+        uses: actions/setup-python@v5
         with:
-          python-version: 3.8
+          python-version: 3.9
 
       - name: Set version
         run: echo "VERSION=$(sed -n "s/^__version__ = '\(.*\)'/\1/p" torch_geometric/__init__.py)" >> ${GITHUB_ENV}

diff --git a/.github/workflows/prev_testing.yml b/.github/workflows/prev_testing.yml
@@ -6,6 +6,11 @@ on:  # yamllint disable-line rule:truthy
       - master
   pull_request:
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}-${{ startsWith(github.ref, 'refs/pull/') || github.run_number }}  # yamllint disable-line
+  # Only cancel intermediate builds if on a PR:
+  cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }}
+
 jobs:
 
   prev_pytest:
@@ -14,14 +19,14 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        torch-version: [1.13.0, 2.1.0, 2.3.0]
+        torch-version: [1.13.0, 2.1.0, 2.4.0]
         include:
           - torch-version: 1.13.0
             torchvision-version: 0.14.0
           - torch-version: 2.1.0
             torchvision-version: 0.16.0
-          - torch-version: 2.3.0
-            torchvision-version: 0.18.0
+          - torch-version: 2.4.0
+            torchvision-version: 0.19.0
 
     steps:
       - name: Checkout repository
@@ -54,7 +59,7 @@ jobs:
       - name: Install main package
         if: steps.changed-files-specific.outputs.only_changed != 'true'
         run: |
-          pip install -e .[full,test]
+          pip install -e .[test]
 
       - name: Run tests
         if: steps.changed-files-specific.outputs.only_changed != 'true'