Update github workflows and add multithreaded blas test for phph-calc

phonopy · Apr 21, 2024 · 9156ff1 · 9156ff1
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commit 9156ff1
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diff --git a/.github/workflows/phono3py-pytest-conda-mkl-phphmtblas.yml b/.github/workflows/phono3py-pytest-conda-mkl-phphmtblas.yml
@@ -0,0 +1,46 @@
+name: Pytest with mkl  sing BLAS for phph-calc
+
+on:
+  pull_request:
+    branches: [ develop ]
+
+jobs:
+  build-linux:
+    runs-on: ubuntu-latest
+    defaults:
+      run:
+        shell: bash -l {0}
+    strategy:
+      matrix:
+        python-version: ["3.12"]
+
+    steps:
+    - uses: actions/checkout@v3
+    # Use conda-incubator/setup-miniconda for precise control of conda infrastructure
+    - uses: conda-incubator/setup-miniconda@v2
+      with:
+        miniforge-version: latest
+    - name: Install dependent packages
+      run: |
+        conda activate test
+        conda install --yes python=${{ matrix.python-version }}
+        #conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler
+        conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler
+    - name: Install phonopy develop branch
+      run: |
+        conda activate test
+        git clone --depth 1 https://github.com/phonopy/phonopy.git
+        cd phonopy
+        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        cd ..
+    - name: Install phono3py
+      run: |
+        conda activate test
+        PHPHCALC_USE_MTBLAS=true pip install -e . -vvv
+    - name: Run pytest
+      run: |
+        pytest -v --cov=./ --cov-report=xml test
+    - name: Upload coverage to Codecov
+      uses: codecov/codecov-action@v3
+      with:
+        verbose: true
diff --git a/.github/workflows/phono3py-pytest-conda-mkl-v2.yml b/.github/workflows/phono3py-pytest-conda-mkl-v2.yml
@@ -3,12 +3,6 @@ name: Pytest with mkl and --v2 option
 on:
   pull_request:
     branches: [ develop ]
-  push:
-    branches-ignore:
-    - publish-gh-pages
-    - develop
-    - master
-    - rc
 
 jobs:
   build-linux:
@@ -18,7 +12,7 @@ jobs:
         shell: bash -l {0}
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.12"]
 
     steps:
     - uses: actions/checkout@v3
@@ -37,7 +31,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        pip install -e . -vvv
+        PHONOPY_USE_OPENMP=true pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |

diff --git a/.github/workflows/phono3py-pytest-conda-mkl.yml b/.github/workflows/phono3py-pytest-conda-mkl.yml
@@ -3,12 +3,6 @@ name: Pytest with mkl
 on:
   pull_request:
     branches: [ develop ]
-  push:
-    branches-ignore:
-    - publish-gh-pages
-    - develop
-    - master
-    - rc
 
 jobs:
   build-linux:
@@ -18,7 +12,7 @@ jobs:
         shell: bash -l {0}
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.12"]
 
     steps:
     - uses: actions/checkout@v3
@@ -37,7 +31,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        pip install -e . -vvv
+        PHONOPY_USE_OPENMP=true pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |

diff --git a/.github/workflows/phono3py-pytest-conda-phphmtblas.yml b/.github/workflows/phono3py-pytest-conda-phphmtblas.yml
@@ -0,0 +1,46 @@
+name: Pytest with openblas using BLAS for phph-calc
+
+on:
+  pull_request:
+    branches: [ develop ]
+
+jobs:
+  build-linux:
+    runs-on: ubuntu-latest
+    defaults:
+      run:
+        shell: bash -l {0}
+    strategy:
+      matrix:
+        python-version: ["3.12"]
+
+    steps:
+    - uses: actions/checkout@v3
+    # Use conda-incubator/setup-miniconda for precise control of conda infrastructure
+    - uses: conda-incubator/setup-miniconda@v2
+      with:
+        miniforge-version: latest
+    - name: Install dependent packages
+      run: |
+        conda activate test
+        conda install --yes python=${{ matrix.python-version }}
+        conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler
+        #conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler
+    - name: Install phonopy develop branch
+      run: |
+        conda activate test
+        git clone --depth 1 https://github.com/phonopy/phonopy.git
+        cd phonopy
+        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        cd ..
+    - name: Install phono3py
+      run: |
+        conda activate test
+        PHPHCALC_USE_MTBLAS=true pip install -e . -vvv
+    - name: Run pytest
+      run: |
+        pytest -v --cov=./ --cov-report=xml test
+    - name: Upload coverage to Codecov
+      uses: codecov/codecov-action@v3
+      with:
+        verbose: true
diff --git a/.github/workflows/phono3py-pytest-conda.yml b/.github/workflows/phono3py-pytest-conda.yml
@@ -3,12 +3,6 @@ name: Pytest with openblas
 on:
   pull_request:
     branches: [ develop ]
-  push:
-    branches-ignore:
-    - publish-gh-pages
-    - develop
-    - master
-    - rc
 
 jobs:
   build-linux:
@@ -18,7 +12,7 @@ jobs:
         shell: bash -l {0}
     strategy:
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
 
     steps:
     - uses: actions/checkout@v3
@@ -37,7 +31,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        pip install -e . -vvv
+        PHONOPY_USE_OPENMP=true pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |