Install bats

.travis.yml

@@ -27,7 +27,7 @@ python:
 script: 
   - ./configure  --production ./config/gfortran.cfg
   - source ./quantum_package.rc
-  - qp_module.py install Full_CI Hartree_Fock
+  - qp_module.py install Full_CI Hartree_Fock CAS_SD MRCC_CASSD 
   - ninja
   - cd ocaml ; make ; cd -
-  - cd testing_no_regression ; ./unit_test.py
+  - cd test ; bats bats/qp.bats

configure

@@ -65,7 +65,8 @@ d_dependency = {
     "python": [],
     "ninja": ["gcc", "python"],
     "make": [],
-    "p_graphviz": ["python"]
+    "p_graphviz": ["python"],
+    "bats": []
 }
 
 from collections import namedtuple
@@ -135,10 +136,15 @@ p_graphviz = Info(
     description=' Python library for graphviz',
     default_path=join(QP_ROOT_INSTALL, "p_graphviz"))
 
+bats = Info(
+    url='https://github.com/sstephenson/bats/archive/master.tar.gz',
+    description=' Bash Automated Testing System',
+    default_path=join(QP_ROOT_INSTALL, "bats"))
+
 d_info = dict()
 
 for m in ["ocaml", "m4", "curl", "zlib", "path", "irpf90", "docopt",
-          "resultsFile", "ninja", "emsl", "ezfio", "p_graphviz"]:
+          "resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",'bats']:
     exec ("d_info['{0}']={0}".format(m))
 
 

test/bats/qp.bats

@@ -9,9 +9,11 @@ function eq() {
     awk -v n1=${1#-} -v n2=${2#-} -v p=$3 'BEGIN{ if ((n1-n2)^2 < p^2) exit 0; exit 1}'
 }
 
-source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh
+#: "${QP_ROOT?Pls set your quantum_package.rc}"
 
+source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh
 TEST_DIR=${QP_ROOT}/test/work/
+mkdir -p ${TEST_DIR}
 cd ${TEST_DIR}
 
 @test "init HBO STO-3G" {