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Initial NEQ implementation in Q #73

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27 changes: 19 additions & 8 deletions src/q6/makefile
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Original file line number Diff line number Diff line change
Expand Up @@ -153,15 +153,15 @@ default: what
################################################################################
# Targets
################################################################################
all: qfep qprep qdyn qdum qcalc move1 move2
all: qfep qprep qdyn qdyn_neq qdum qcalc move1 move2

qprep: qprep

test: qfep qprep qdyn_test qdum qcalc move1 move4

debug:
@make FFLAGS="${DEBUG}" \
qfep qprep qdyn qdum qcalc move1 move2
qfep qprep qdyn qdyn_neq qdum qcalc move1 move2

mpi:
@make FFLAGS="${MPI}" \
Expand All @@ -175,23 +175,25 @@ clean:
-rm -f *.o *.mod *.M *.kmo *.il *.oo

nuke:
-rm -rf *.o *.mod *.M *.kmo *.il *.oo qfep qdynp qdyn qprep qcalc \
-rm -rf *.o *.mod *.M *.kmo *.il *.oo qfep qdynp qdyn qdyn_neq qprep qcalc \
qdum ../../bin/q6 ../../obj

qcalc qdyn qdyn_test qdum qdynp qprep qfep: misc.o mpiglob.o
qcalc qdyn qdyn_neq qdyn_test qdum qdynp qprep qfep: misc.o mpiglob.o

qcalc qdyn qdyn_test qdum qdynp qprep: mask.o prmfile.o sizes.o topo.o trj.o index.o
qcalc qdyn qdyn_neq qdyn_test qdum qdynp qprep: mask.o prmfile.o sizes.o topo.o trj.o index.o

qcalc qdyn qdyn_test qdum qdynp qfep: nrgy.o
qcalc qdyn qdyn_neq qdyn_test qdum qdynp qfep: nrgy.o

qcalc qdyn qdyn_test qdum qdynp: qatom.o
qcalc qdyn qdyn_neq qdyn_test qdum qdynp: qatom.o

qcalc qprep qfep: parse.o

qcalc qprep: maskmanip.o

qdyn qdum: qdyn.o

qdyn_neq : qdyn_neq.o

qdyn_test: qdyn_test.o

qprep: qprep.o prefs.o prep.o avetr.o nrgy.o
Expand All @@ -207,6 +209,9 @@ qcalc: calc_base.o calc_chemscore.o calc_fit.o calc_geom.o calc_pmfscore.o \

qdyn : md.o
${FC} ${FFLAGS} ${FLIBS} $+ -o $@

qdyn_neq : md_neq.o
${FC} ${FFLAGS} ${FLIBS} $+ -o $@

qdyn_test : md_test.o #qdyn_test.o
${FC} ${FFLAGS} ${FLIBS} $+ -o $@
Expand Down Expand Up @@ -280,6 +285,9 @@ maskmanip.o: maskmanip.f90 mask.o misc.o parse.o
md.o: md.f90 mpiglob.o qatom.o sizes.o trj.o topo.o
${FC} ${FFLAGS} ${FPP_FLG} -c md.f90

md_neq.o: md_neq.f90 mpiglob.o qatom.o sizes.o trj.o topo.o
${FC} ${FFLAGS} ${FPP_FLG} -c md_neq.f90

md_test.o: md_test.f90 mpiglob.o qatom.o sizes.o trj.o topo.o
${FC} ${FFLAGS} ${FPP_FLG} -c md_test.f90

Expand Down Expand Up @@ -323,6 +331,9 @@ qcalc.o: qcalc.f90 calc_chemscore.o calc_pmfscore.o calc_xscore.o trj.o \

qdyn.o: qdyn.f90 md.o mpiglob.o
${FC} ${FFLAGS} ${FPP_FLG} -c qdyn.f90

qdyn_neq.o: qdyn.f90 md_neq.o mpiglob.o
${FC} ${FFLAGS} ${FPP_FLG} -c qdyn.f90 -o qdyn_neq.o

qdyn_test.o: qdyn_test.f90 md_test.o mpiglob.o
${FC} ${FFLAGS} ${FPP_FLG} -c qdyn_test.f90 -o qdyn_test.o
Expand Down Expand Up @@ -350,7 +361,7 @@ move1:
mkdir -p obj ; mv *.o *.mod obj/

move2:
mkdir -p bin/q6 ; mv qfep qprep qdyn qdum qcalc bin/q6
mkdir -p bin/q6 ; mv qfep qprep qdyn qdyn_neq qdum qcalc bin/q6

move3:
mkdir -p bin/q6 ; mv qdynp bin/q6
Expand Down
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