Bug#935993: nwchem: NWChem compiled with long int lapack/blas interface?

2019-08-28 Thread Mo Zhou
Hi Giacomo and nwchem maintainer, I should provide you some important hints at this point. > However, lapack and blas libs with 64 bit integer interfaces just appeared > on debian experimental, and have been available for some time in the > non-free (but packaged in non-free) Intel MKL libs. I

Bug#935993: nwchem: NWChem compiled with long int lapack/blas interface?

2019-08-28 Thread Giacomo Mulas
Package: nwchem Version: 6.8.1-5 Severity: wishlist Dear Maintainer, I am a long time NWChem (ab)user. I always have to compile NWChem myself, instead of using the binary version provided by debian, because for large enough molecules matrices become too big for the 32 bit int interface, and