Moved bats files and added qp_test. Need to change travis

TODO

@@ -1,5 +1,3 @@
-* Virer cache compile
-
 # qp_module
 
 * Mettre les fichiers de test dans le directory source

scripts/qp_test

@@ -0,0 +1,68 @@
+#!/usr/bin/env python2
+# -*- coding: utf-8 -*-
+
+"""
+Runs all the possible tests using bats.
+
+Usage:
+  qp_test [-av]
+
+Options:
+  -v    verbose output
+  -a    test all installed modules. Default is to test the current directory.
+
+"""
+
+import os
+import subprocess
+
+try:
+    from docopt import docopt
+    from qp_path import QP_SRC, QP_PLUGINS, QP_ROOT, QP_TESTS
+except ImportError:
+    print "Please check if you have sourced the ${QP_ROOT}/quantum_package.rc"
+    print "(`source ${QP_ROOT}/quantum_package.rc`)"
+    print sys.exit(1)
+
+
+def main(arguments):
+    # Fetch all *.bats files
+    l_bats = []
+    def append_bats(dirname, filenames):
+        for f in filenames:
+            if f.endswith(".bats"):
+                l_bats.append( os.path.join(dirname,f) )
+
+    if arguments["-a"]:
+        for (dirname, _, filenames) in os.walk(QP_SRC, followlinks=False) :
+            append_bats(dirname, filenames)
+    else:
+        for (dirname, _, filenames) in os.walk(os.getcwd(), followlinks=False) :
+            append_bats(dirname, filenames)
+    print l_bats
+
+    # Execute tests
+    os.chdir(QP_TESTS)
+
+    for bats_file in l_bats:
+        print ""
+        print "-~-~-~-~-~-~"
+        print ""
+        print "Running tests for %s"%(bats_file)
+        print ""
+        if arguments["-v"]:
+            p1 = subprocess.Popen(["python2", "bats_to_sh.py", bats_file], \
+                    stdout=subprocess.PIPE)
+            p2 = subprocess.Popen(["bash"], stdin=p1.stdout)
+            _, _ = os.waitpid(p2.pid,0)
+            _, _ = os.waitpid(p1.pid,0)
+        else:
+            subprocess.check_call(["bats", bats_file])
+            
+
+
+if __name__ == '__main__':
+    arguments = docopt(__doc__)
+    main(arguments)
+
+

scripts/utility/qp_path.py

@@ -14,3 +14,4 @@ else:
     QP_PLUGINS = os.path.join(QP_ROOT, "plugins")
     QP_EZFIO = os.environ["QP_EZFIO"]
     QP_OCAML = os.path.join(QP_ROOT, "ocaml")
+    QP_TESTS = os.path.join(QP_ROOT, "tests")

src/hartree_fock/hf.bats

@@ -4,6 +4,7 @@ source $QP_ROOT/tests/bats/common.bats.sh
 
 function run_init() {
   cp "${QP_ROOT}/tests/input/$1" .
+  rm -rf -- $3
   qp_create_ezfio_from_xyz $1 -o $3 $2
   qp_edit -c $3
 }
@@ -14,7 +15,7 @@ function run_HF() {
   test_exe scf || skip
   qp_edit -c $1
   ezfio set_file $1
-  ezfio set hartree_fock thresh_scf 1.e-10
+  ezfio set scf_utils thresh_scf 1.e-10
   qp_run scf $1
   energy="$(ezfio get hartree_fock energy)"
   eq $energy $2 $thresh