Repository for the generic integral API and implementations for specific integral libraries.
Integrals is built using CPP. Assuming you have already installed CPP, that you are on a sane Unix-like computer, and you are willing to let Integrals build all dependencies, then the following will suffice to build Integrals:
git clone https://github.com/NWChemEx/Integrals.git
cd SDE
cmake -H. -Bbuild -DCPP_GITHUB_TOKEN=<your super-secret token> \
-DMPI_ROOT=<path/to/your/mpi/installation> \
-DCMAKE_PREFIX_PATH=<where/you/installed/CPP> \
-DCMAKE_INSTALL_PREFIX=<where/you/want/to/install/Integrals>
cd build
cmake --build .
#May need to run as an admin depending on where you are installing
cmake --build . --target install
The build process is not capable of building MPI so you will have to provide a
path to a known installation via the MPI_ROOT variable. The GitHub token is
necessary because, at the moment, Chemist, TAMM, SDE, and Utilities are
private repositories (instructions for generating a token are
here).
For finer-grained control over the build we direct the reader to the more thorough CPP build instructions located here
and note that Integrals depends on several other projects:
We recommend building Libint separately for the moment because a proper autotools build (the only autotools variant supported by CPP) builds the generator and many more integrals than are necessary.