Setup testing environment

scripts/create_test_ref.sh

@@ -0,0 +1,49 @@
+#!/bin/bash
+# 
+# usage:
+#  create_test_ref.sh <test_executable>
+# Creates the test reference file using all possible input directories of the
+# data directory.
+# Mon Apr  7 12:00:55 CEST 2014
+
+TEST_EXE=$1
+REF_FILE=${TEST_EXE}.ref
+
+
+if [[ $(basename ${PWD}) != "tests" ]]
+then
+  echo "Error: This script should be run in the tests directory."
+  exit 1
+fi
+
+if [[ -z ${TEST_EXE} ]]
+then
+  echo "usage: " $(basename $0) " <test_executable>"
+  exit 1
+fi
+
+if [[ -z ${MAKE} ]]
+then
+  MAKE="make -j 4"
+fi
+
+echo "Unarchiving EZFIO input directories"
+${MAKE} -C ${QPACKAGE_ROOT}/data/inputs all_ezfio > /dev/null
+
+if [[ -f ${TEST_REF} ]]
+then
+  mv ${TEST_REF} ${TEST_REF}.save
+fi
+
+printf "data = {\n " > ${REF_FILE}
+printf "Running tests...."
+for dir in ${QPACKAGE_ROOT}/data/inputs/*.ezfio
+do
+  printf " '%s' : {\n " $(basename ${dir})
+  ./${TEST_EXE} ${dir} | sed "s/\([^ ]*\) *\(:\) *\([^ ]*\)/'\1' : \3,/g"
+  printf " },\n"
+done >> ${REF_FILE}
+printf "}\n" >> ${REF_FILE}
+echo "Done."
+
+

scripts/create_tests_Makefile.sh

@@ -0,0 +1,49 @@
+#!/bin/bash
+# 
+# usage:
+#  create_tests_Makefile.sh 
+# Creates the Makefile of the tests directory. This command is supposed to be
+# run in a tests directory.
+# Mon Apr  7 11:50:30 CEST 2014
+
+MODULE=$(basename $PWD)
+
+if [[ $MODULE == "tests" ]]
+then
+  echo "Error: This script should not be run in the tests directory."
+  exit 1
+fi
+
+cat << EOF > Makefile
+OPENMP  =1
+PROFILE =0
+DEBUG  = 0
+
+IRPF90+= -I tests
+
+REF_FILES=$(subst %.irp.f, %.ref, $(wildcard *.irp.f))
+
+.PHONY: clean executables serial_tests parallel_tests
+
+all: clean executables serial_tests parallel_tests
+
+parallel_tests: $(REF_FILES)                                                                 
+	@echo ; echo "   ----  Running parallel tests ----" ; echo
+	@OMP_NUM_THREADS=10 ${QPACKAGE_ROOT}/scripts/run_tests.py 
+
+serial_tests: $(REF_FILES)
+	@echo ; echo "   ----  Running serial tests ----" ; echo
+	@OMP_NUM_THREADS=1 ${QPACKAGE_ROOT}/scripts/run_tests.py 
+
+executables: $(wildcard *.irp.f)
+	$(MAKE) -C .. 
+
+%.ref: $(wildcard $(QPACKAGE_ROOT)/data/inputs/*.md5) executables
+	$(QPACKAGE_ROOT)/scripts/create_test_ref.sh $*
+
+clean:
+	$(MAKE) -C .. clean 
+     
+EOF
+
+

scripts/run_tests.py

@@ -0,0 +1,60 @@
+#!/usr/bin/python
+
+import unittest
+import os
+import subprocess
+from math import *
+
+env = os.environ
+try:
+  verbosity = int(sys.argv[1])
+except:
+  verbosity = 1
+
+testfiles = []
+for f in os.listdir(os.getcwd()):
+  if f.endswith('.irp.f'):
+    testfiles.append(f.replace('.irp.f',''))
+
+def run_test(test_name,inp):
+  command = './'+test_name+" ${QPACKAGE_ROOT}/data/inputs/"+inp
+  result = subprocess.check_output(command, shell=True)
+  return result
+
+
+template = """
+class $test(unittest.TestCase):
+    
+    execfile('$test.ref')
+
+    def setUp(self):
+       self.name = '$test'
+
+    def _test_input(self,inp):
+       output = run_test(self.name, inp)
+       for line in output.splitlines():
+          buffer = line.split(':')
+          if len(buffer) == 1:
+            continue
+          l,r = buffer
+          l,r = l.strip(), eval(r)
+          if type(r) == float:
+            self.assertAlmostEqual(self.data[inp][l], r, 
+              places=abs(int(log10(self.precision[l]*max(abs(self.data[inp][l]),1.e-12)))), msg=None)
+          else:
+            self.assertEqual(self.data[inp][l], r, msg=None)
+
+    t = "def test_$k(self): self._test_input('$i')"
+    for i in data.keys():
+       k = i
+       k = k.replace('.ezfio','')
+       k = k.replace('-','_m_')
+       k = k.replace('+','_p_')
+       exec t.replace('$i',i).replace('$k',k) in locals()
+"""
+
+for test in testfiles:
+    exec template.replace('$test',test) in locals()
+
+if __name__ == '__main__':
+   unittest.main(verbosity=verbosity)

src/Electrons/tests/Makefile

@@ -0,0 +1,31 @@
+OPENMP  =1                                                                                   
+PROFILE =0
+DEBUG  = 0
+
+IRPF90+= -I tests
+
+REF_FILES=$(subst %.irp.f, %.ref, $(wildcard *.irp.f))
+
+.PHONY: clean executables serial_tests parallel_tests
+
+all: clean executables serial_tests parallel_tests
+
+parallel_tests: $(REF_FILES) 
+	@echo ; echo "   ----  Running parallel tests ----" ; echo
+	@OMP_NUM_THREADS=10 ${QPACKAGE_ROOT}/scripts/run_tests.py 
+
+serial_tests: $(REF_FILES)
+	@echo ; echo "   ----  Running serial tests ----" ; echo
+	@OMP_NUM_THREADS=1 ${QPACKAGE_ROOT}/scripts/run_tests.py 
+
+executables: $(wildcard *.irp.f)
+	$(MAKE) -C .. 
+
+%.ref: $(wildcard $(QPACKAGE_ROOT)/data/inputs/*.md5) executables
+	$(QPACKAGE_ROOT)/scripts/create_test_ref.sh $*
+
+clean:
+	$(MAKE) -C .. clean 
+
+
+

src/Electrons/tests/test_number_electrons.irp.f

@@ -0,0 +1,6 @@
+program test_number_electrons
+  implicit none
+  print *,  'elec_alpha_num :', elec_alpha_num
+  print *,  'elec_beta_num :', elec_beta_num
+  print *,  'elec_num :', elec_num
+end

src/Makefile.common

@@ -123,7 +123,9 @@ Makefile.depend: Makefile
 
 include irpf90.make
 
-# Dummy rule to enable to force recompilation
+test:
+	make -j 1 -C tests
 
+# Dummy rule to enable to force recompilation
 FORCE: