Libcint is integrated into Fermi. A build step was included to compile the code fetched directly from github. This solves the problem of distributing binaries.
For now Lints.jl is still used by default, with the keyword @set lints true used to control this option. After some testing Lints will be completely removed.
In order to enhance the compatibility with libcintAtomicOrbitals are no longer singletons, but now they hold BasisSet objects necessary for the ccall.
Libcint is integrated into Fermi. A build step was included to compile the code fetched directly from github. This solves the problem of distributing binaries.
For now
Lints.jlis still used by default, with the keyword@set lints trueused to control this option. After some testing Lints will be completely removed.In order to enhance the compatibility with
libcintAtomicOrbitalsare no longer singletons, but now they holdBasisSetobjects necessary for theccall.ERI (4-rank tensor) needs serious optimization!