Fix workflow

grimme-lab · Sep 16, 2024 · e03188e · e03188e
1 parent 7b60f79
commit e03188e
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Showing 6 changed files with 18 additions and 17 deletions.
diff --git a/.github/workflows/macos-arm.yaml b/.github/workflows/macos-arm.yaml
@@ -44,9 +44,9 @@ jobs:
         os: [macos-14]
         # Python 3.8/3.9 is not on macos-latest (macos-14-arm64)
         # https://github.com/actions/setup-python/issues/696
-        python-version: ["3.10", "3.11", "3.12"]
+        python-version: ["3.10", "3.11"]
         # only test oldest and newest version of torch
-        torch-version: ["1.11.0", "2.4.0"]
+        torch-version: ["1.11.0", "2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/
           #
@@ -87,10 +87,10 @@ jobs:
           python3 -m pip install tox
 
       - name: Determine TOXENV
-        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')" >> $GITHUB_ENV
+        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')-nolibcint" >> $GITHUB_ENV
 
       - name: Print TOXENV
         run: echo "TOXENV is set to '${{ env.TOXENV }}'."
 
       - name: Unittests with tox
-        run: tox -e ${{ env.TOXENV }}-nolibcint
+        run: tox -e ${{ env.TOXENV }}
diff --git a/.github/workflows/macos-x86.yaml b/.github/workflows/macos-x86.yaml
@@ -95,10 +95,10 @@ jobs:
           python3 -m pip install tox
 
       - name: Determine TOXENV
-        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')" >> $GITHUB_ENV
+        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')-nolibcint" >> $GITHUB_ENV
 
       - name: Print TOXENV
         run: echo "TOXENV is set to '${{ env.TOXENV }}'."
 
       - name: Unittests with tox
-        run: tox -e ${{ env.TOXENV }}-nolibcint
+        run: tox -e ${{ env.TOXENV }}
diff --git a/.github/workflows/ubuntu-nolibcint.yaml b/.github/workflows/ubuntu-nolibcint.yaml
@@ -43,7 +43,7 @@ jobs:
       matrix:
         os: [ubuntu-latest]
         python-version: ["3.8", "3.9", "3.10", "3.11"]
-        torch-version: ["2.3.1"]
+        torch-version: ["2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/
           #
@@ -79,13 +79,13 @@ jobs:
           python3 -m pip install tox
 
       - name: Determine TOXENV
-        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')" >> $GITHUB_ENV
+        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')-nolibcint" >> $GITHUB_ENV
 
       - name: Print TOXENV
         run: echo "TOXENV is set to '${{ env.TOXENV }}'."
 
       - name: Unittests with tox
-        run: tox -e ${{ env.TOXENV }}-nolibcint
+        run: tox -e ${{ env.TOXENV }}
 
       - name: Upload coverage to Codecov
         uses: codecov/codecov-action@v3

diff --git a/.github/workflows/ubuntu.yaml b/.github/workflows/ubuntu.yaml
@@ -44,7 +44,7 @@ jobs:
         os: [ubuntu-latest]
         # python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         python-version: ["3.8", "3.9", "3.10", "3.11"]
-        torch-version: ["2.0.1", "2.1.2", "2.2.2", "2.3.1"]
+        torch-version: ["2.0.1", "2.1.2", "2.2.2", "2.3.1", "2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/
           #

diff --git a/.github/workflows/windows.yaml b/.github/workflows/windows.yaml
@@ -44,7 +44,7 @@ jobs:
         os: [windows-latest]
         python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         # only test oldest and newest version of torch
-        torch-version: ["1.11.0", "2.4.0"]
+        torch-version: ["1.11.0", "2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/
           #
@@ -93,7 +93,7 @@ jobs:
           python3 -m pip install tox
 
       - name: Determine TOXENV
-        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')" >> $GITHUB_ENV
+        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')-nolibcint" >> $GITHUB_ENV
 
       - name: Print TOXENV
         run: echo "TOXENV is set to '${{ env.TOXENV }}'."

diff --git a/tox.ini b/tox.ini
@@ -18,11 +18,11 @@
 min_version = 4.0
 isolated_build = True
 envlist =
-    py38-torch{1110,1121,1131,201,212,222,231,240}-{nolibcint,libcint},
-    py39-torch{1110,1121,1131,201,212,222,231,240}-{nolibcint,libcint},
-    py310-torch{1110,1121,1131,201,212,222,231,240}-{nolibcint,libcint},
-    py311-torch{1131,201,212,222,231,240}-{nolibcint,libcint},
-    py312-torch{222,231,240}-{nolibcint,libcint}
+    py38-torch{1110,1121,1131,201,212,222,231,240,241}-{nolibcint,libcint},
+    py39-torch{1110,1121,1131,201,212,222,231,240,241}-{nolibcint,libcint},
+    py310-torch{1110,1121,1131,201,212,222,231,240,241}-{nolibcint,libcint},
+    py311-torch{1131,201,212,222,231,240,241}-{nolibcint,libcint},
+    py312-torch{222,231,240,241}-{nolibcint,libcint}
 
 [testenv]
 setenv =
@@ -44,6 +44,7 @@ deps =
     torch230:  torch==2.3.0
     torch231:  torch==2.3.1
     torch240:  torch==2.4.0
+    torch241:  torch==2.4.1
 
 extras =
     tox