Built mpqc-2.2.0 on amd64 successfully on 2004.03.02. Configure script fails to find installed mpi libs (sys-cluster/lam-mpi v 7.02), although I have not tried very hard to correct this. I have run the full validation suite included, and all calculations are successful to within machine tolerance EXCEPT for mp2-r12 based calculations which segfault. This will be a separate bug if I determine it to be a general problem. Reproducible: Always Steps to Reproduce: 1. 2. 3.
marked mpqc-2.1.2 stable and 2.2.0 unstable...