mirror of https://github.com/QMCPACK/qmcpack.git
54 lines
3.0 KiB
CMake
54 lines
3.0 KiB
CMake
|
|
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/test_labels.cmake")
|
|
|
|
# Runs unit tests
|
|
FUNCTION( ADD_QE_TEST TESTNAME PROCS TEST_BINARY NPOOL WORKDIR TEST_INPUT)
|
|
IF ( USE_MPI )
|
|
ADD_TEST( NAME ${TESTNAME} COMMAND ${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${PROCS} ${TEST_BINARY} -npool ${NPOOL} -inp ${TEST_INPUT} )
|
|
ELSE()
|
|
ADD_TEST( NAME ${TESTNAME} COMMAND ${TEST_BINARY} -npool 1 ${TEST_INPUT} )
|
|
ENDIF()
|
|
SET_TESTS_PROPERTIES( ${TESTNAME} PROPERTIES ENVIRONMENT OMP_NUM_THREADS=1 PROCESSORS ${PROCS} PROCESSOR_AFFINITY TRUE WORKING_DIRECTORY ${WORKDIR} )
|
|
SET_PROPERTY( TEST ${TESTNAME} APPEND PROPERTY LABELS "converter" )
|
|
ENDFUNCTION()
|
|
|
|
FUNCTION( RUN_QE_TEST BASE_NAME SRC_DIR PROCS1 PROCS2 PROCS3 NPOOL1 NPOOL2 NPOOL3 TEST_INPUT_PREFIX TEST_NAME)
|
|
SET( FULL_NAME ${BASE_NAME}-np-${PROCS1}-${PROCS2}-${PROCS3}-nk-${NPOOL1}-${NPOOL2}-${NPOOL3} )
|
|
SET( ${TEST_NAME} ${FULL_NAME} PARENT_SCOPE)
|
|
SET( MY_WORKDIR ${CMAKE_CURRENT_BINARY_DIR}/${FULL_NAME} )
|
|
MESSAGE_VERBOSE("Adding test ${FULL_NAME}")
|
|
COPY_DIRECTORY( "${SRC_DIR}" "${MY_WORKDIR}" )
|
|
ADD_QE_TEST(${FULL_NAME}-scf ${PROCS1} ${QE_BIN}/pw.x ${NPOOL1} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-scf.in )
|
|
IF(PROCS2 EQUAL 0)
|
|
ADD_QE_TEST(${FULL_NAME}-pw2x ${PROCS3} ${QE_BIN}/pw2qmcpack.x ${NPOOL3} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-pw2x.in )
|
|
SET_TESTS_PROPERTIES(${FULL_NAME}-pw2x PROPERTIES DEPENDS ${FULL_NAME}-scf)
|
|
ELSE(PROCS2 EQUAL 0)
|
|
ADD_QE_TEST(${FULL_NAME}-nscf ${PROCS2} ${QE_BIN}/pw.x ${NPOOL2} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-nscf.in )
|
|
SET_TESTS_PROPERTIES(${FULL_NAME}-nscf PROPERTIES DEPENDS ${FULL_NAME}-scf)
|
|
ADD_QE_TEST(${FULL_NAME}-pw2x ${PROCS3} ${QE_BIN}/pw2qmcpack.x ${NPOOL3} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-pw2x.in )
|
|
SET_TESTS_PROPERTIES(${FULL_NAME}-pw2x PROPERTIES DEPENDS ${FULL_NAME}-nscf)
|
|
ENDIF(PROCS2 EQUAL 0)
|
|
ENDFUNCTION()
|
|
|
|
FUNCTION( SOFTLINK_H5 SOURCE TARGET PREFIX FILENAME TEST_NAME)
|
|
SET(${TEST_NAME} "LINK_${SOURCE}_TO_${TARGET}" PARENT_SCOPE)
|
|
ADD_TEST( NAME LINK_${SOURCE}_TO_${TARGET} COMMAND ${qmcpack_SOURCE_DIR}/tests/scripts/clean_and_link_h5.sh ${SOURCE}/out/${PREFIX}.pwscf.h5 ${SOURCE}-${TARGET}/${FILENAME} )
|
|
SET_TESTS_PROPERTIES(LINK_${SOURCE}_TO_${TARGET} PROPERTIES DEPENDS ${SOURCE}-pw2x)
|
|
SET_PROPERTY( TEST LINK_${SOURCE}_TO_${TARGET} APPEND PROPERTY LABELS "converter" )
|
|
ENDFUNCTION()
|
|
|
|
FUNCTION( VERIFY_QE_PRESENT QE_BIN )
|
|
IF ( EXISTS "${QE_BIN}/pw.x" )
|
|
MESSAGE( STATUS "Found pw.x at ${QE_BIN}/pw.x")
|
|
ELSE()
|
|
MESSAGE( "QE_BIN was specified but could not find ${QE_BIN}/pw.x" )
|
|
MESSAGE( FATAL_ERROR "QE should be built ahead of QMCPACK. See qmcpack/external_codes/quantum_espresso/README for details on building patched version." )
|
|
ENDIF()
|
|
IF ( EXISTS "${QE_BIN}/pw2qmcpack.x" )
|
|
MESSAGE( STATUS "Found pw2qmcpack.x at ${QE_BIN}/pw.x")
|
|
ELSE()
|
|
MESSAGE( "QE_BIN was specified but could not find ${QE_BIN}/pw2qmcpack.x" )
|
|
MESSAGE( FATAL_ERROR "See qmcpack/external_codes/quantum_espresso/README for details on building patched version" )
|
|
ENDIF()
|
|
ENDFUNCTION()
|