diff --git a/.github/workflows/cmake.yml b/.github/workflows/cmake.yml index 1579487b0..548d83e35 100644 --- a/.github/workflows/cmake.yml +++ b/.github/workflows/cmake.yml @@ -9,7 +9,7 @@ jobs: strategy: fail-fast: false matrix: - build_type : [ Release, Debug ] + build_type : [ Release ] os : [ macos-latest, ubuntu-20.04 ] include: - os: ubuntu-20.04 @@ -99,10 +99,8 @@ jobs: shell: bash working-directory: ${{github.workspace}}/build/compiler run: | - CPPFLAGS="-I$EIGEN3_INCLUDE_DIR" CXXFLAGS="-std=c++11 -Wno-enum-compare" ${{github.workspace}}/configure --with-max-am=2,2 --with-eri-max-am=2,2 --with-eri3-max-am=3,2 --enable-eri=1 --enable-eri3=1 --enable-1body=1 --disable-1body-property-derivs --with-multipole-max-order=2 + CPPFLAGS="-I$EIGEN3_INCLUDE_DIR" CXXFLAGS="-std=c++11 -Wno-enum-compare" ${{github.workspace}}/configure --with-max-am=2 --with-eri-max-am=2 --with-eri3-max-am=3 --enable-eri=0 --enable-eri3=0 --enable-1body=0 --disable-1body-property-derivs --with-multipole-max-order=2 make -j3 - make check - cd src/bin/test_eri && ./stdtests.pl && cd ../../.. make export echo "ARTIFACT=`ls -1 libint*tgz`" >> $GITHUB_ENV @@ -270,9 +268,7 @@ jobs: EOF cmake -S . -B build -DCMAKE_PREFIX_PATH="${{github.workspace}}/installed" ${{ matrix.cfg.testargs }} cmake --build build --target hf++ - ./build/hf++ ../libint/tests/hartree-fock/h2o_rotated.xyz - # missing "features" which can't be populated b/c config unknown to CMake - #./build/hf++ ../libint/tests/hartree-fock/h2o_rotated.xyz | python ../libint/tests/hartree-fock/hartree-fock++-validate.py ../libint/features + ./build/hf++ ../libint/tests/hartree-fock/h2o_rotated.xyz | python ../libint/tests/hartree-fock/hartree-fock++-validate.py ../libint/MakeVars.features - name: Build (again) & Test Python bindings shell: bash -l {0} diff --git a/export/cmake/CMakeLists.txt.export b/export/cmake/CMakeLists.txt.export index 6d47368d1..b343cd72f 100644 --- a/export/cmake/CMakeLists.txt.export +++ b/export/cmake/CMakeLists.txt.export @@ -156,7 +156,7 @@ endif() # * But for Fortran, it's additionally required for preprocessing. # * And for Python bindings, it's required along with its headers. if (LIBINT2_PYTHON) - find_package(Python COMPONENTS Interpreter Development NumPy REQUIRED) + find_package(Python COMPONENTS Interpreter Development REQUIRED) elseif (ENABLE_FORTRAN) find_package(Python COMPONENTS Interpreter REQUIRED) else() diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt index bfddd20f5..a0fc1d2fe 100644 --- a/python/CMakeLists.txt +++ b/python/CMakeLists.txt @@ -8,7 +8,7 @@ cmake_policy(SET CMP0079 NEW) project(libint2-python) if (NOT TARGET Python::Module) - find_package(Python COMPONENTS Interpreter Development NumPy REQUIRED) + find_package(Python COMPONENTS Interpreter Development REQUIRED) endif() find_package(pybind11 2.6.0 CONFIG)