The "Energy Basis Schrödinger Solver"
Install Homebrew:
ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
Then install needed packages:
brew install gcc
brew install openmpi
brew install openblas
brew install wget # just to make this a little easier.
brew install boost --c++11, --with-mpi, --without-single
brew install gsl
Download and install PETSc in some convenient directory:
wget http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-lite-3.5.3.tar.gz # the lite version doesn't include documentation
tar zxf petsc-lite-3.5.3.tar.gz
cd petsc-3.5.3
The following is my configure command for creating the debug version of PETSc. Replace with better values for you:
./configure --prefix=<wherever you want to put it (but not in petsc-3.5.3)> \
--with-clanguage=cxx \
--with-c++-support \
--with-debugging=1 \
--with-fortran-kernels \
--with-shared-libraries=true \
--with-scalar-type=complex \
--with-blas-lapack-dir=/usr/local/Cellar/openblas/<current_version> \
--with-mpi=1 \
run the configure, then copy and run each command given to you after it finishes.
Download SLEPc in some convenient directory:
wget http://slepc.upv.es/download/download.php?filename=slepc-3.5.3.tar.gz
mv download.php\?filename=slepc-3.5.3.tar.gz slepc-3.5.3.tar.gz
tar zxf slepc-3.5.3.tar.gz
cd slepc-3.5.3
Then the configure command:
export PETSC_DIR=<prefix from above>; ./configure --prefix=<wherever you want to put it (not in slepc-3.5.3)>
run the configure, then copy and run each command after it finishes.
Finally we get to screwing around with ebss itself:
in the root project directory, there is a file: makefile.include. Modify the first two uncommented lines to the prefixes from above, and the third line:
SLEPC_DIR=<from above for SLEPc>
PETSC_DIR=<from above for PETSc>
TDSEBASE=<the full path of the project root directory>
After this, you should be done!