From 33ea9f4e695d7b0b58a894cdd4a77d78121d5152 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Mon, 19 Aug 2019 13:25:25 -0700
Subject: [PATCH] pyqa replaced py python3 compatible test pyqa3. Should
 address item 7 of
 https://github.com/nwchemgit/nwchem/issues/136#issuecomment-522216314

---
 QA/doafewqmtests.mpi | 1 +
 QA/doqmtests         | 2 +-
 QA/doqmtests.mpi     | 2 +-
 QA/doqmtests_bash    | 2 +-
 4 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/QA/doafewqmtests.mpi b/QA/doafewqmtests.mpi
index aece5ae5e9..411faae7d8 100755
--- a/QA/doafewqmtests.mpi
+++ b/QA/doafewqmtests.mpi
@@ -22,6 +22,7 @@ fi
 ./runtests.mpi.unix procs $np small_intchk 
 ./runtests.mpi.unix procs $np h2o_dk 
 ./runtests.mpi.unix procs $np cosmo_h2o_dft
+./runtests.mpi.unix procs $np pyqa3
 #
 ./runtests.mpi.unix procs $np tddft_h2o
 ./runtests.mpi.unix procs $np tddft_n2+
diff --git a/QA/doqmtests b/QA/doqmtests
index 9ed53905fb..2377d277aa 100755
--- a/QA/doqmtests
+++ b/QA/doqmtests
@@ -7,7 +7,7 @@ set np = 1
 if ($1 !="") then
 set np = $1
 endif
-./runtests.unix procs $np auh2o autosym dft_he2+ h2mp2 h2o hess_h2o prop_h2o pyqa
+./runtests.unix procs $np auh2o autosym dft_he2+ h2mp2 h2o hess_h2o prop_h2o pyqa3
 ./runtests.unix procs $np geom_zmatrix rimp2_ne  scf_feco5 small_intchk tagcheck testtab
 ./runtests.unix procs $np h2o_dk u_sodft cosmo_h2o ch5n_nbo h2s_finite startag
 ./runtests.unix procs $np cosmo_trichloroethene esp esp_uhf dft_bsse dft_s12gh c4h4_wfn
diff --git a/QA/doqmtests.mpi b/QA/doqmtests.mpi
index 89a9c66791..d0b3d2958d 100755
--- a/QA/doqmtests.mpi
+++ b/QA/doqmtests.mpi
@@ -24,7 +24,7 @@ fi
 #---   small tests
 #./runtests.mpi.unix procs $np testtask
 ./runtests.mpi.unix procs $np h2o_opt c2h4
-./runtests.mpi.unix procs $np auh2o autosym dft_he2+ h2mp2 h2o hess_h2o prop_h2o pyqa
+./runtests.mpi.unix procs $np auh2o autosym dft_he2+ h2mp2 h2o hess_h2o prop_h2o pyqa3
 ./runtests.mpi.unix procs $np geom_zmatrix rimp2_ne rimp2_he scf_feco5 small_intchk tagcheck testtab
 ./runtests.mpi.unix procs $np h2o_dk u_sodft cosmo_h2o ch5n_nbo h2s_finite startag
 ./runtests.mpi.unix procs $np cosmo_na cosmo_cl cosmo_nacl
diff --git a/QA/doqmtests_bash b/QA/doqmtests_bash
index 5e0a9a69ce..f06635c5a6 100644
--- a/QA/doqmtests_bash
+++ b/QA/doqmtests_bash
@@ -11,7 +11,7 @@
 ./runtests.mpi.unix_bash h2o 
 ./runtests.mpi.unix_bash hess_h2o 
 ./runtests.mpi.unix_bash prop_h2o 
-./runtests.mpi.unix_bash pyqa
+./runtests.mpi.unix_bash pyqa3
 ./runtests.mpi.unix_bash geom_zmatrix 
 ./runtests.mpi.unix_bash rimp2_ne
 ./runtests.mpi.unix_bash rimp2_he