From 1db2f21b5ebb221fd313db86a84a62ccd29e474e Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue, 5 Jan 2016 01:43:41 +0100
Subject: [PATCH] Removed -mavx in config/gfortran

---
 config/gfortran.cfg | 4 ++--
 test/bats/qp.bats   | 6 ++++--
 2 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/config/gfortran.cfg b/config/gfortran.cfg
index 97962d64..c0bc19f5 100644
--- a/config/gfortran.cfg
+++ b/config/gfortran.cfg
@@ -10,7 +10,7 @@
 #
 #
 [COMMON]
-FC           : gfortran -mavx -g -ffree-line-length-none -I . -static-libgcc 
+FC           : gfortran -g -ffree-line-length-none -I . -static-libgcc 
 LAPACK_LIB   : -llapack -lblas
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32
@@ -35,7 +35,7 @@ OPENMP  : 1          ; Append OpenMP flags
 #                           -ffast-math and the Fortran-specific
 #                           -fno-protect-parens and -fstack-arrays.
 [OPT]
-FCFLAGS : -Ofast -mcpu=native
+FCFLAGS : -Ofast -march=native
 
 # Profiling flags
 #################
diff --git a/test/bats/qp.bats b/test/bats/qp.bats
index 2cbc3f45..ebbb571f 100644
--- a/test/bats/qp.bats
+++ b/test/bats/qp.bats
@@ -64,7 +64,7 @@ function run_HF() {
 }
 
 function run_FCI() {
-  thresh=1.e-5
+  thresh=1.e-4
   test_exe full_ci || skip
   ezfio set_file $1
   ezfio set perturbation do_pt2_end True
@@ -90,7 +90,7 @@ function run_FCI() {
 
 @test "FCI HBO STO-3G" {
   run "SCF HBO STO-3G" 
-  run_FCI  hbo.ezfio  -98.965287146032395  -98.966244481929749
+  run_FCI  hbo.ezfio  -98.965709048681845  -98.965709048681504
 }
 
 
@@ -184,4 +184,6 @@ function run_FCI() {
 # TODO mod(64) MOs
 # TODO All G2 SCF energies
 # TODO Long and short tests
+# TODO MP2
+# TODO CISD_selected