Updats github workflows

phonopy · Jul 7, 2024 · 57d863f · 57d863f
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diff --git a/.github/workflows/phono3py-pytest-conda-mkl-phphmtblas.yml b/.github/workflows/phono3py-pytest-conda-mkl-phphmtblas.yml
@@ -24,8 +24,7 @@ jobs:
       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
+        conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler cxx-compiler
     - name: Install symfc develop branch
       run: |
         conda activate test
@@ -38,12 +37,12 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |
         conda activate test
-        PHPHCALC_USE_MTBLAS=true pip install -e . -vvv
+        PHPHCALC_USE_MTBLAS=ON pip install -e . -vvv
     - name: Run pytest
       run: |
         pytest -v --cov=./ --cov-report=xml test

diff --git a/.github/workflows/phono3py-pytest-conda-mkl-v2.yml b/.github/workflows/phono3py-pytest-conda-mkl-v2.yml
@@ -24,8 +24,7 @@ jobs:
       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
+        conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler cxx-compiler
     - name: Install symfc develop branch
       run: |
         conda activate test
@@ -38,7 +37,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        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
@@ -24,8 +24,7 @@ jobs:
       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
+        conda install --yes matplotlib-base pyyaml "libblas=*=*mkl" mkl-include h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler cxx-compiler
     - name: Install symfc develop branch
       run: |
         conda activate test
@@ -38,7 +37,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |

diff --git a/.github/workflows/phono3py-pytest-conda-numpy2.yml b/.github/workflows/phono3py-pytest-conda-numpy2.yml
@@ -24,7 +24,7 @@ jobs:
       run: |
         conda activate test
         conda install --yes python=${{ matrix.python-version }}
-        conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py "numpy=2" scipy pytest codecov pytest-cov cmake c-compiler
+        conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py "numpy=2" scipy pytest codecov pytest-cov cmake c-compiler cxx-compiler
     - name: Install spglib develop branch
       run: |
         conda activate test
@@ -44,7 +44,7 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        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
@@ -24,8 +24,7 @@ jobs:
       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
+        conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler cxx-compiler
     - name: Install symfc develop branch
       run: |
         conda activate test
@@ -38,12 +37,12 @@ jobs:
         conda activate test
         git clone --depth 1 https://github.com/phonopy/phonopy.git
         cd phonopy
-        PHONOPY_USE_OPENMP=true pip install -e . -vvv
+        pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |
         conda activate test
-        PHPHCALC_USE_MTBLAS=true pip install -e . -vvv
+        PHPHCALC_USE_MTBLAS=ON pip install -e . -vvv
     - name: Run pytest
       run: |
         pytest -v --cov=./ --cov-report=xml test

diff --git a/.github/workflows/phono3py-pytest-conda.yml b/.github/workflows/phono3py-pytest-conda.yml
@@ -24,14 +24,13 @@ jobs:
       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
+        conda install --yes matplotlib-base pyyaml "libblas=*=*openblas" openblas h5py scipy pytest codecov pytest-cov spglib alm cmake c-compiler cxx-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
+        pip install -e . -vvv
         cd ..
     - name: Install phono3py
       run: |

diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -150,9 +150,9 @@ if(PHPHCALC OR BUILD_NANOBIND_MODULE)
         # Shared library
         add_library(phphcalc_lib SHARED ${SOURCES_PHPHCALC})
         target_link_libraries(phphcalc_lib m ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}
-                              ${OpenMP_C_LIBRARIES})
+                              OpenMP::OpenMP_C)
         target_include_directories(phphcalc_lib PRIVATE ${MY_INCLUDES})
-        target_compile_options(phphcalc_lib PRIVATE ${OpenMP_C_FLAGS})
+        target_compile_options(phphcalc_lib)
 
         if(BLAS_LIBRARIES MATCHES "libmkl")
             if(PHPHCALC_USE_MTBLAS)
@@ -178,9 +178,9 @@ if(PHPHCALC OR BUILD_NANOBIND_MODULE)
         # Static link library
         add_library(phphcalc_lib STATIC ${SOURCES_PHPHCALC})
         target_link_libraries(phphcalc_lib m ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}
-                              ${OpenMP_C_LIBRARIES})
+                              OpenMP::OpenMP_C)
         target_include_directories(phphcalc_lib PRIVATE ${MY_INCLUDES})
-        target_compile_options(phphcalc_lib PRIVATE ${OpenMP_C_FLAGS})
+        target_compile_options(phphcalc_lib)
 
         if(BLAS_LIBRARIES MATCHES "libmkl")
             if(PHPHCALC_USE_MTBLAS)
@@ -234,9 +234,9 @@ if(PHONONCALC OR BUILD_NANOBIND_MODULE)
         # Shared library
         add_library(phononcalc_lib SHARED ${SOURCES_PHONONCALC})
         target_link_libraries(phononcalc_lib m ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}
-                              ${OpenMP_C_LIBRARIES})
+                              OpenMP::OpenMP_C)
         target_include_directories(phononcalc_lib PRIVATE ${MY_INCLUDES})
-        target_compile_options(phononcalc_lib PRIVATE ${OpenMP_C_FLAGS})
+        target_compile_options(phononcalc_lib)
 
         if(BLAS_LIBRARIES MATCHES "libmkl")
             target_compile_definitions(phononcalc_lib PRIVATE MKL_LAPACKE
@@ -250,10 +250,11 @@ if(PHONONCALC OR BUILD_NANOBIND_MODULE)
     else()
         # Static link library
         add_library(phononcalc_lib STATIC ${SOURCES_PHONONCALC})
-        target_link_libraries(phononcalc_lib m ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}
-                              ${OpenMP_C_LIBRARIES})
+        target_link_libraries(
+            phononcalc_lib PRIVATE m ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES}
+                                   OpenMP::OpenMP_C)
         target_include_directories(phononcalc_lib PRIVATE ${MY_INCLUDES})
-        target_compile_options(phononcalc_lib PRIVATE ${OpenMP_C_FLAGS})
+        target_compile_options(phononcalc_lib)
 
         if(BLAS_LIBRARIES MATCHES "libmkl")
             target_compile_definitions(phononcalc_lib PRIVATE MKL_LAPACKE

diff --git a/pyproject.toml b/pyproject.toml
@@ -42,6 +42,9 @@ sdist.include = [
     "README.md",
 ]
 
+[tool.scikit-build.cmake.define]
+PHPHCALC_USE_MTBLAS = {env="PHPHCALC_USE_MTBLAS", default="OFF"}
+
 [tool.setuptools_scm]
 write_to = "phono3py/_version.py"