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evaleev · Sep 1, 2023 · a7b16cd · a7b16cd
1 parent 86a41d9
commit a7b16cd
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Showing 3 changed files with 5 additions and 9 deletions.
diff --git 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
@@ -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
@@ -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)