standard format

This commit is contained in:
Martin Diehl 2022-09-29 15:16:58 +02:00
parent a2b075c031
commit fd6b2c5e39
9 changed files with 29 additions and 28 deletions

View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

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@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

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@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

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@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -166,6 +166,11 @@ if test -n "$MSCCOSIM_HOME"; then @@ -166,6 +166,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib" MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi fi
@ -16,7 +16,7 @@
# AEM # AEM
if test "$MARCDLLOUTDIR" = ""; then if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB" DLLOUTDIR="$MARC_LIB"
@@ -594,7 +605,7 @@ then @@ -594,7 +603,7 @@
PROFILE=" $PROFILE -pg" PROFILE=" $PROFILE -pg"
fi fi
@ -25,7 +25,7 @@
if test "$MTHREAD" = "OPENMP" if test "$MTHREAD" = "OPENMP"
then then
FORT_OPT=" $FORT_OPT -qopenmp" FORT_OPT=" $FORT_OPT -qopenmp"
@@ -607,7 +616,7 @@ else @@ -607,7 +616,7 @@
FORT_OPT=" $FORT_OPT -save -zero" FORT_OPT=" $FORT_OPT -save -zero"
fi fi
if test "$MARCHDF_HDF" = "HDF"; then if test "$MARCHDF_HDF" = "HDF"; then
@ -34,7 +34,7 @@
fi fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -621,6 +630,29 @@ FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ @@ -621,6 +630,29 @@
# for compiling free form f90 files. high opt, integer(4) # for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3" FORTF90="$FCOMP -c -O3"
@ -64,7 +64,7 @@
if test "$MARCDEBUG" = "ON" if test "$MARCDEBUG" = "ON"
then then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -778,7 +806,7 @@ SECLIBS="-L$MARC_LIB -llapi" @@ -778,7 +810,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \ SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \ -L$MARC_MKL \

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@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

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@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

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@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -261,11 +261,18 @@ popmenu job_run_popmenu { @@ -261,12 +261,19 @@
} }
button { button {
position +25 = position +25 =
@ -10,21 +10,21 @@
help "job_run#Job Submission And Control" help "job_run#Job Submission And Control"
popmenu job_submit_adv_pm popmenu job_submit_adv_pm
} }
+ button { button {
+ position +18 = + position +18 =
+ size 7 4 + size 7 4
+ text "DAMASK" + text "DAMASK"
+ help "damask_run#Job Submission And Control" + help "damask_run#Job Submission And Control"
+ popmenu damask + popmenu damask
+ } + }
button { + button {
position 0 +4 position 0 +4
size 12 4 size 12 4
@@ -1189,6 +1196,135 @@ popmenu job_submit_adv_pm { text "UPDATE"
} @@ -1190,6 +1197,135 @@
+#-------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------
+popmenu damask { +popmenu damask {
+ +
+#ifdef QT_MENTAT +#ifdef QT_MENTAT
@ -153,6 +153,7 @@
+ mode permanent + mode permanent
+} +}
+ +
#-------------------------------------------------------------------------------------------------- +#--------------------------------------------------------------------------------------------------
popmenu job_exit_msg_pm { popmenu job_exit_msg_pm {
text "EXIT MESSAGE"