configure

#!/bin/bash
#============================ Pre-configure ========================
rm -rf cmake_install.cmake \
       CMakeFiles/ \
       CMakeCache.txt \
       mcpdft \
       build/
#
#mkdir build && cd build
#cd build
#============================ Configure ============================
#cmake -G "Ninja" -DCMAKE_BUILD_TYPE=Debug \
cmake -H. \
      -B build \
      -G "Unix Makefiles" \
      -D CMAKE_BUILD_TYPE=Release \
      -D CODE_COVERAGE=ON \
      -D BUILD_TESTING=ON \
      -D WITH_ARMADILLO=ON \
      -D WITH_OPENMP=ON \
      -D WITH_LIBXC=OFF \
      -D WITH_PYBIND=OFF \
      -D WITH_HDF5=ON \
      -D WITH_CHUNKING=OFF \
      -D CHUNK_DIM0=2 \
      -D CHUNK_DIM1=2 \
      -D WITH_PSI4=ON \
      -D psi4_DIR="/home/sina/MySoftwares/psi4_01_09_2020/objdir/stage/share/cmake/psi4" \
      -D pybind11_DIR="/home/sina/Packages/anaconda3/envs/p4dev/share/cmake/pybind11" \
      -D PYTHON_EXECUTABLE="/home/sina/Packages/anaconda3/envs/p4dev/bin/python" \
      -D PYTHON_LIBRARY="/home/sina/Packages/anaconda3/envs/p4dev/lib/libpython3.7m.so" \
      -D PYTHON_INCLUDE_DIR="/home/sina/Packages/anaconda3/envs/p4dev/include/python3.7m"
      #-DLibxc_DIR=<Address of Libxc installation> for
      #find_package(Libxc) to be able to find it
#      -D PYTHON_EXECUTABLE="/home/sina/Packages/anaconda3/envs/p4dev/bin" \
#      -C "/home/sina/MySoftwares/psi4_01_09_2020/objdir/stage/share/cmake/psi4/psi4PluginCache.cmake" \
#============================ Build ================================
cmake --build ./build --target clean
cmake --build ./build --config Release -- -j $(nproc)
#============================ Install ==============================
cmake --build ./build --target install -- -j $(nproc)
#make install #for Unix Makefiles
#ninja install #for Ninja
#============================ Test =================================
cd build
ctest -V -j $(nproc)
cd ..
#ctest -j $(nproc) -M Experimental -T Start --track "Test Series" \
#      -T Configure \
#      -T Build \
#      -T Test \
#      -T Coverage
#======================= Generate Diagram ==========================
#cmake --graphvis=diagram.dot ..
#dot -T png diagram.dot -o diagram.png