diff --git a/ci/linux/core_linux.sh b/ci/linux/core_linux.sh index 99aa5f227fd0f4be0911d69a405d7ad39e88d5aa..892fd23ebfebc3bcc00f99e72a2e0978c4d09bff 100755 --- a/ci/linux/core_linux.sh +++ b/ci/linux/core_linux.sh @@ -54,7 +54,7 @@ fi module load python-2.7.8 # always load qt-4 -module load qt-4.8.5-gcc +module load qt/5.9.9 # execute the compiler load module export COMPILER=${COMPILER:-toolchain/gcc/4.8.3} diff --git a/ci/linux/everything.sh b/ci/linux/everything.sh index ca18ba93b9a138ee5fc5fbaed353509621b05558..37aca5ff61b8ad3ec306d6fb6aa354f74bddd7aa 100755 --- a/ci/linux/everything.sh +++ b/ci/linux/everything.sh @@ -46,7 +46,8 @@ export SCALE_CONFIGURE_OPTIONS="${SAMMY_CONFIGURE_OPTIONS} \ -DHDF5_INCLUDE_DIRS:PATH=${HDF5}/include \ -DHDF5_LIBRARY_DIRS:PATH=${HDF5}/lib \ -DINSTALL_GTEST:BOOL=ON \ - -DSCALE_DATA_AUTO=TRUE \ + -DSCALE_DATA_DIR:STRING="/NOT_NEEDED/" \ + -DSCALE_DATA_AUTO=FALSE \ -DNEMESIS_DBC=0" echo "..... SCALE_CONFIGURE_OPTIONS is $SCALE_CONFIGURE_OPTIONS" echo "" diff --git a/sammy/TestRunner/CMakeLists.txt b/sammy/TestRunner/CMakeLists.txt index 2cdc306b21c45f85376cf1b5d922d473a17d34bb..a3dd373348672960bfda44eb1ab3cbd80e4f639a 100755 --- a/sammy/TestRunner/CMakeLists.txt +++ b/sammy/TestRunner/CMakeLists.txt @@ -2,7 +2,6 @@ INCLUDE(SammyPackageSetup) TRIBITS_PACKAGE(TestRunner) - SET(SAMMY_SOURCES RunProgram.cpp CompareSammyPARfiles.cpp diff --git a/sammy/cmake/FindQt5.cmake b/sammy/cmake/FindQt5.cmake new file mode 100644 index 0000000000000000000000000000000000000000..bc0b76be633b5cd542dee4db9496e886400afca8 --- /dev/null +++ b/sammy/cmake/FindQt5.cmake @@ -0,0 +1,30 @@ +#----------------------------------*-CMake-*----------------------------------# +# Copyright 2021 UT-Battelle, LLC and SCALE developers. +# See the top-level COPYRIGHT file for details. +#[=======================================================================[.rst: + +FindQt5 +------- + +Find the Qt5 library using Qt5's exported configuration options. This will +forward on all components, versions, etc., and simply print out debugging +information about whether and where it was found. + +#]=======================================================================] + +find_package(Qt5 QUIET CONFIG) +include(FindPackageHandleStandardArgs) +find_package_handle_standard_args(Qt5 CONFIG_MODE) + +# Clean up variables (tested with Qt 5.15.2) +unset(_config) +unset(_deps) +unset(_dir) +unset(_module_dep) +unset(dep) +unset(module) +unset(imported_location) +unset(pluginTarget) +unset(pluginTargets) + +#-----------------------------------------------------------------------------# diff --git a/sammy/cmake/TPLs/FindTPLQT.cmake b/sammy/cmake/TPLs/FindTPLQT.cmake index 44f89bffe24cc545806053d5098d658ad98f8c39..cf6d8e245b0bf97e8a47ba474598ce379007b244 100755 --- a/sammy/cmake/TPLs/FindTPLQT.cmake +++ b/sammy/cmake/TPLs/FindTPLQT.cmake @@ -1,31 +1,19 @@ -# use location of qmake to determine QT include and library paths -find_program( QMAKE_EXE qmake ) -string(COMPARE EQUAL ${QMAKE_EXE} "QMAKE_EXE-NOTFOUND" QMAKE_NOT_FOUND) -if(${QMAKE_NOT_FOUND}) - message(FATAL_ERROR "Path to qmake required to deduce the Qt dependencies") -else() - string(REPLACE "qmake" "" QMAKE_EXE ${QMAKE_EXE}) - SET(QT_INCLUDE_DIRS "${QMAKE_EXE}/../include" CACHE FILEPATH "") - SET(QT_LIBRARY_DIRS "${QMAKE_EXE}/../lib" CACHE FILEPATH "") +# borrowed from SCALE, modified to fit SAMMY needs +if(NOT QT_REQUIRED_COMPONENTS) + set(QT_REQUIRED_COMPONENTS Core) endif() +find_package(Qt5 COMPONENTS ${QT_REQUIRED_COMPONENTS} REQUIRED) -# current set of libraries and includes needed by TestRunner -SET( REQ_QT_HEADERS - QtCore/QByteArray - QtCore/QDir - QtCore/QFile - QtCore/QIODevice - QtCore/QProcess - QtCore/QRegExp - QtCore/QString - QtCore/QStringList - QtCore/QTextStream - ) -SET( REQ_QT_LIBS - QtCore - ) +set(qt_libraries) +set(qt_includes) +foreach(component IN LISTS QT_REQUIRED_COMPONENTS) + list(APPEND qt_libraries ${Qt5${component}_LIBRARIES}) + list(APPEND qt_includes ${Qt5${component}_INCLUDE_DIRS}) +endforeach() +list(REMOVE_DUPLICATES qt_includes) -TRIBITS_TPL_FIND_INCLUDE_DIRS_AND_LIBRARIES( - QT - REQUIRED_HEADERS ${REQ_QT_HEADERS} - REQUIRED_LIBS_NAMES ${REQ_QT_LIBS} ) \ No newline at end of file +# just in case - override TriBITS variables +set(TPL_QT_LIBRARIES "${qt_libraries}" CACHE STRING "See FindTPLQT" FORCE) +set(TPL_QT_INCLUDE_DIRS "${qt_includes}" CACHE STRING "See FindTPLQT" FORCE) +set(TPL_QT_LIBRARY_DIRS "" CACHE STRING "See FindTPLQT" FORCE) +set(TPL_QT_NOT_FOUND "FALSE" CACHE INTERNAL "See FindTPLQT") diff --git a/sammy/samtry/copy_for_rebaseline.sh b/sammy/samtry/copy_for_rebaseline.sh new file mode 100644 index 0000000000000000000000000000000000000000..802000045418abd322784ead240872eb002d44b3 --- /dev/null +++ b/sammy/samtry/copy_for_rebaseline.sh @@ -0,0 +1,16 @@ +# pass in path to your ${SAMMY_BUILD}/install/samtry location as argument to script +NEW_RESULTS_DIR=$1 + +# carry out rebase for all tests, copy each file in source samtry back +for dir in tr* +do + # suppress output of pushd/popd - remove '> /dev/null' to diagnose copy issues + pushd ${dir}/answers > /dev/null + for file in * + do + if test -f "${NEW_RESULTS_DIR}/${dir}/results/${file}"; then + cp ${NEW_RESULTS_DIR}/${dir}/results/${file} . + fi + done + popd > /dev/null +done diff --git a/sammy/samtry/tr119/answers/rff.lst b/sammy/samtry/tr119/answers/rff.lst index e8821a47328d05fbea44d329281ec34b24a0342f..97f14ff6c1389500779872e203ca662b9c31b0ba 100755 --- a/sammy/samtry/tr119/answers/rff.lst +++ b/sammy/samtry/tr119/answers/rff.lst @@ -163,9 +163,9 @@ 4320.0000000000 0.2997000000 0.0209790000 0.0000205336 4330.0000000000 0.3442500000 0.0240980000 0.0000258191 4340.0000000000 0.3942000000 0.0275940000 0.0000336126 - 4360.0000000000 0.4509000000 0.0315630000 0.0000556831 - 4380.0000000000 0.5089500000 0.0356270000 0.0000419157 - 4390.0000000000 0.5035500000 0.0352490000 0.0000138113 + 4360.0000000000 0.4509000000 0.0315630000 0.0000557548 + 4380.0000000000 0.5089500000 0.0356270000 0.0000418586 + 4390.0000000000 0.5035500000 0.0352490000 0.0000138187 4400.0000000000 0.4860000000 0.0340200000 0.0000060268 4410.0000000000 0.4266000000 0.0298620000 0.0000062489 4430.0000000000 0.3739500000 0.0261770000 0.0000069150 @@ -175,30 +175,30 @@ 4490.0000000000 0.1674000000 0.0117180000 0.0000128172 4500.0000000000 0.1343300000 0.0094031000 0.0000167144 4510.0000000000 0.1660500000 0.0116240000 0.0000247117 - 4530.0000000000 0.3469500000 0.0242870000 0.0000788220 - 4540.0000000000 0.4522500000 0.0316580000 0.0000657404 + 4530.0000000000 0.3469500000 0.0242870000 0.0000788221 + 4540.0000000000 0.4522500000 0.0316580000 0.0000657405 4550.0000000000 0.4752000000 0.0332640000 0.0000366732 - 4560.0000000000 0.4117500000 0.0288230000 0.0000257680 - 4570.0000000000 0.4279500000 0.0299570000 0.0000226484 - 4590.0000000000 0.4360500000 0.0305240000 0.0000236589 + 4560.0000000000 0.4117500000 0.0288230000 0.0000257681 + 4570.0000000000 0.4279500000 0.0299570000 0.0000226485 + 4590.0000000000 0.4360500000 0.0305240000 0.0000236590 4620.0000000000 0.4414500000 0.0309020000 0.0000233878 - 4630.0000000000 0.4252500000 0.0297680000 0.0000214466 - 4660.0000000000 0.4306500000 0.0301460000 0.0000447572 + 4630.0000000000 0.4252500000 0.0297680000 0.0000214467 + 4660.0000000000 0.4306500000 0.0301460000 0.0000447573 4670.0000000000 0.4131000000 0.0289170000 0.0000188573 4680.0000000000 0.3496500000 0.0244760000 0.0000119973 - 4700.0000000000 0.2673000000 0.0187110000 0.0000084682 + 4700.0000000000 0.2673000000 0.0187110000 0.0000084683 4710.0000000000 0.2713500000 0.0189950000 0.0000078100 4720.0000000000 0.2794500000 0.0195610000 0.0000072137 4730.0000000000 0.2632500000 0.0184270000 0.0000066739 4750.0000000000 0.2349000000 0.0164430000 0.0000062058 4760.0000000000 0.2160000000 0.0151200000 0.0000062857 - 4780.0000000000 0.2065500000 0.0144590000 0.0000071359 + 4780.0000000000 0.2065500000 0.0144590000 0.0000071356 4800.0000000000 0.2092500000 0.0146480000 0.0000101136 4820.0000000000 0.2241000000 0.0156870000 0.0000320791 4830.0000000000 0.2376000000 0.0166320000 0.0000459916 4840.0000000000 0.2106000000 0.0147420000 0.0000321460 - 4850.0000000000 0.2160000000 0.0151200000 0.0000465420 - 4860.0000000000 0.4056800000 0.0283980000 0.0001040177 + 4850.0000000000 0.2160000000 0.0151200000 0.0000465421 + 4860.0000000000 0.4056800000 0.0283980000 0.0001040178 4880.0000000000 0.3820500000 0.0267440000 0.0000747712 4890.0000000000 0.3334500000 0.0233420000 0.0000401570 4900.0000000000 0.2956500000 0.0206960000 0.0000293527 @@ -215,9 +215,9 @@ 5040.0000000000 0.1350000000 0.0094500000 0.0000193953 5050.0000000000 0.1768500000 0.0123800000 0.0000254291 5060.0000000000 0.2160000000 0.0151200000 0.0000364022 - 5070.0000000000 0.3314300000 0.0232000000 0.0000533780 - 5080.0000000000 0.4347000000 0.0304290000 0.0000648828 + 5070.0000000000 0.3314300000 0.0232000000 0.0000533781 + 5080.0000000000 0.4347000000 0.0304290000 0.0000648829 5100.0000000000 0.3901500000 0.0273110000 0.0000375175 5120.0000000000 0.3442500000 0.0240980000 0.0000189917 - 5130.0000000000 0.3645000000 0.0255150000 0.0000149863 + 5130.0000000000 0.3645000000 0.0255150000 0.0000149862 5140.0000000000 0.3294000000 0.0230580000 0.0000125052 diff --git a/sammy/src/fin/mfin3.f90 b/sammy/src/fin/mfin3.f90 index 42cd15c645f24f0d82e79a4c523ecbb66ff73918..f9ecce0b9f4eba6ab4ef86a393b6f3be5893bff5 100644 --- a/sammy/src/fin/mfin3.f90 +++ b/sammy/src/fin/mfin3.f90 @@ -724,8 +724,15 @@ module fin3 Em1, Em2 WRITE (36,10300) pair%getIa(1), pair%getIa(2), & Em1, Em2 -10300 FORMAT (5X, 'Sa=', F5.1, 5X, 'Sb=', F6.1, 5x, 'Ma=', F15.8, & - 5X, 'Mb=', F15.8) + +! The precision for the printing is set high to +! ensure that sufficient precision for the neutron mass is +! available. The mass is set explictly if generating +! a PAR file from an ENDF file and here +! we need to be sure we preserve all digits available +! in SammyConstants +10300 FORMAT (5X, 'Sa=', F5.1, 5X, 'Sb=', F6.1, 5x, 'Ma=', F20.15, & + 5X, 'Mb=', F20.15) IF (pair%getQ().NE.Zero) THEN WRITE (38,10400) pair%getQ() WRITE (36,10400) pair%getQ() diff --git a/sammy/src/mas/mmas6a.f b/sammy/src/mas/mmas6a.f index 0a25047ba28f4dc427876e0e2837a11a3abc2cf6..d55ec007f8226a10a6eba0d84766f2cc517a8ca6 100644 --- a/sammy/src/mas/mmas6a.f +++ b/sammy/src/mas/mmas6a.f @@ -50,7 +50,7 @@ C *** True Particle-Pair 10400 FORMAT (' Particle a=neutron') A = Em1*Aneutr WRITE (39,10500) A, Kz1, Spin1 -10500 FORMAT (' Mb=', F20.10, ' Zb=', I2, +10500 FORMAT (' Mb=', F20.15, ' Zb=', I2, * ' Sb=',F5.1) ELSE IF (Mt.GT.50 .AND. Mt.LT.99) THEN C Inelastic @@ -88,7 +88,7 @@ C Inelastic ELSE A = Em2*Aneutr WRITE (39,11200) A, Kz2, Spin2 -11200 FORMAT (' Ma=', F20.10, ' Za=', I2, +11200 FORMAT (' Ma=', F20.15, ' Za=', I2, * ' Sa=',F5.1) A = Em1*Aneutr WRITE (39,10500) A, Kz1, Spin1