macOS Quantum espresso编译hdf5支持

使用macports直接编译QE，会找不到macports的hdf5库，尝试各种flag设置无果后，改用手工编译HDF5解决

编译安装hdf5

./configure --prefix=$HOME/opt/hdf5 --enable-fortran --enable-parallel  --enable-hl 
make && make install

注意configure时需要添加fortran支持等flag

编译安装QE

configure

F90=gfortran CC=gcc \
BLAS_LIBS="-L/opt/local/lib -lopenblas" \
LAPACK_LIBS="-L/opt/local/lib -lopenblas" \
./configure --enable-openmp --disable-parallel --enable-debug \
            --with-hdf5=$HOME/opt/hdf5

删除不支持的编译flag

生成的makefile会包含一个不支持的flag，-lrt，需要从make.inc中删除

make and test

make pw # only pw.x and related modules
cd test-suite
make run-tests-pw