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quantum-espresso/flib/Makefile

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Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
# Makefile for flib
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
include ../make.sys
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
OBJS = \
avrec.o \
chdens can produce "cubefile" format (Gaussian) (contributed by Axel Kohlmeyer) Version 2.1 tagged git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1322 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 16:37:49 +08:00
atomic_number.o \
Functions "capital" and "matches" taken out of module "parser" and added to flib; duplicated routines removed. Manual update. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@900 c92efa57-630b-4861-b058-cf58834340f0
2004-05-20 00:56:56 +08:00
capital.o \
Misc. cleanup; a few redundant routines moved to flib; added example for phonon DOS; version number updated to 2.1 (PG) Please start testing and debugging the next version, i.e., this one. Note that reference data have to be updated for all examples. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1039 c92efa57-630b-4861-b058-cf58834340f0
2004-07-03 00:24:48 +08:00
dost.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
erf.o \
Added a new wrapper to the flush routine. Hereafter to flush a unit use: CALL flush_unit( unitnumber ) without any "#ifdef". All the check are done within flush_unit. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1903 c92efa57-630b-4861-b058-cf58834340f0
2005-05-25 10:56:34 +08:00
flush_unit.o \
- common xc and gga functionals subroutines for all code PW/CP/FPMD - Few more functionals has been added to file more_functionals.f90 since in PW BLYP/LSDA were not implemented . In the same file, temporary, are stored old CP90 subroutines for testing purpose ( in CP functionals were vectorized!! ). The small program PP/xctest.f90 can be used to make a comparative test between new and old routines, in case someone suspect a problem there. - buon anno! git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1533 c92efa57-630b-4861-b058-cf58834340f0
2004-12-31 19:14:32 +08:00
functionals.o \
lsda_functionals.o \
more_functionals.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
iceil.o \
iglocal.o \
- in CP/FPMD added the possibility to specify input with command line parameter -input like in PW - restart file layout modified git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1945 c92efa57-630b-4861-b058-cf58834340f0
2005-06-09 05:30:34 +08:00
inpfile.o \
First steps in USPP merge between CP and PW: PW: nqfm => nqfx, some us variables and aainit moved to Modules/uspp.f90 (new) CP: lx, lqx => lqmax, lix => lmaxx+1, variables moved, aainit not yet merged invmat moved to flib/ and merged with invmat3 of CP/FPMD, rndm and ylmr2 moved to flib/ in rranf.f90 git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@793 c92efa57-630b-4861-b058-cf58834340f0
2004-04-14 05:49:51 +08:00
invmat.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
latgen.o \
Misc. cleanup; a few redundant routines moved to flib; added example for phonon DOS; version number updated to 2.1 (PG) Please start testing and debugging the next version, i.e., this one. Note that reference data have to be updated for all examples. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1039 c92efa57-630b-4861-b058-cf58834340f0
2004-07-03 00:24:48 +08:00
linpack.o \
Functions "capital" and "matches" taken out of module "parser" and added to flib; duplicated routines removed. Manual update. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@900 c92efa57-630b-4861-b058-cf58834340f0
2004-05-20 00:56:56 +08:00
matches.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
ngnr_set.o \
recips.o \
merging FPMD/CPV added common subroutines ( wave_steepest wave_verlet ) to advance wave_functions . FPMD friction parameter for electrons gdelt substituted with frice git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@669 c92efa57-630b-4861-b058-cf58834340f0
2004-02-25 19:44:39 +08:00
rranf.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
scnds.o \
simpsn.o \
sort.o \
sph_bes.o \
Further cleanup of bessel functions. sph_besr moved from atomic to flib. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1453 c92efa57-630b-4861-b058-cf58834340f0
2004-11-17 21:35:03 +08:00
sph_besr.o \
Cleanup of spherical bessel functions. Added a routine to compute the derivativs of spherical bessel functions (used by calc_btq). C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1450 c92efa57-630b-4861-b058-cf58834340f0
2004-11-17 20:05:53 +08:00
sph_dbes.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
transto.o \
- date_and_tim moved to flib and used by all code, - cleanup in clib - tictac substituted by start_clock/stop_clock - other cleanup git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@751 c92efa57-630b-4861-b058-cf58834340f0
2004-03-29 05:36:28 +08:00
date_and_tim.o \
- Changes in FPMD required by SIC implementation - simplified ionic positions management in FPMD ( many staff moved to Modules/ions_base.f90 - sort_gvec.f90 ( a part of ggen common to FPMD and CP ) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@794 c92efa57-630b-4861-b058-cf58834340f0
2004-04-14 06:30:02 +08:00
sort_gvec.o \
First steps in USPP merge between CP and PW: PW: nqfm => nqfx, some us variables and aainit moved to Modules/uspp.f90 (new) CP: lx, lqx => lqmax, lix => lmaxx+1, variables moved, aainit not yet merged invmat moved to flib/ and merged with invmat3 of CP/FPMD, rndm and ylmr2 moved to flib/ in rranf.f90 git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@793 c92efa57-630b-4861-b058-cf58834340f0
2004-04-14 05:49:51 +08:00
volume.o \
dylmr2.f90 moved to flib/ git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@804 c92efa57-630b-4861-b058-cf58834340f0
2004-04-20 22:45:00 +08:00
dylmr2.o \
First steps in USPP merge between CP and PW: PW: nqfm => nqfx, some us variables and aainit moved to Modules/uspp.f90 (new) CP: lx, lqx => lqmax, lix => lmaxx+1, variables moved, aainit not yet merged invmat moved to flib/ and merged with invmat3 of CP/FPMD, rndm and ylmr2 moved to flib/ in rranf.f90 git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@793 c92efa57-630b-4861-b058-cf58834340f0
2004-04-14 05:49:51 +08:00
ylmr2.o
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
POBJS = \
blockset.o \
gridsetup.o \
hangup.o \
ilcm.o \
indxg2l.o \
indxg2p.o \
indxl2g.o \
infog1l.o \
infog2l.o \
localdim.o \
localindex.o \
matmul.o \
npreroc.o \
numroc.o \
ownerof.o \
Subroutine PW/error.f90 moved to flib/ directory, and linked by all codes. Now in case of severe error, errore writes its message also to the file 'CRASH' that is closed before aborting, this to avoid information loss in those systems that do not flush open streams, when the code is stopped through a call to MPI_ABORT git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@750 c92efa57-630b-4861-b058-cf58834340f0
2004-03-28 07:54:17 +08:00
error.o \
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
reduce.o
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
all: flib.a ptools.a eispack $(MYLIB)
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
flib.a : $(OBJS)
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) $@ $?
Support for mac-osx added (contributed by Pascal Thibaudeau) Extensive documentation update and reshuffling : pwdocs and cpdocs merged into Doc git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1104 c92efa57-630b-4861-b058-cf58834340f0
2004-08-10 00:35:51 +08:00
$(RANLIB) $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
1) directory flib now contains only commons general pourpose subroutines, all FPMD related subs moved back to FPMD directory. 2) All Make.fpmd... merged with Make.cp... and removed. 3) "use parameter .." added to all cft_3 subroutines . 4) hpsort.f90 erf.f90 simpson.f90 moved to flib . everything seem to compile fine, at least on IBM carlo git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-14 07:10:25 +08:00
blas_and_lapack : blas lapack
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
1) directory flib now contains only commons general pourpose subroutines, all FPMD related subs moved back to FPMD directory. 2) All Make.fpmd... merged with Make.cp... and removed. 3) "use parameter .." added to all cft_3 subroutines . 4) hpsort.f90 erf.f90 simpson.f90 moved to flib . everything seem to compile fine, at least on IBM carlo git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-14 07:10:25 +08:00
blas : blas.o dlamch.o
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) flib.a $?
Support for mac-osx added (contributed by Pascal Thibaudeau) Extensive documentation update and reshuffling : pwdocs and cpdocs merged into Doc git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1104 c92efa57-630b-4861-b058-cf58834340f0
2004-08-10 00:35:51 +08:00
$(RANLIB) flib.a
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
lapack : lapack.o dlamch.o
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) flib.a $?
Support for mac-osx added (contributed by Pascal Thibaudeau) Extensive documentation update and reshuffling : pwdocs and cpdocs merged into Doc git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1104 c92efa57-630b-4861-b058-cf58834340f0
2004-08-10 00:35:51 +08:00
$(RANLIB) flib.a
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
1) directory flib now contains only commons general pourpose subroutines, all FPMD related subs moved back to FPMD directory. 2) All Make.fpmd... merged with Make.cp... and removed. 3) "use parameter .." added to all cft_3 subroutines . 4) hpsort.f90 erf.f90 simpson.f90 moved to flib . everything seem to compile fine, at least on IBM carlo git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-14 07:10:25 +08:00
lapack_ibm : lapack_ibm.o dlamch.o
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) flib.a $?
Support for mac-osx added (contributed by Pascal Thibaudeau) Extensive documentation update and reshuffling : pwdocs and cpdocs merged into Doc git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1104 c92efa57-630b-4861-b058-cf58834340f0
2004-08-10 00:35:51 +08:00
$(RANLIB) flib.a
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
1) directory flib now contains only commons general pourpose subroutines, all FPMD related subs moved back to FPMD directory. 2) All Make.fpmd... merged with Make.cp... and removed. 3) "use parameter .." added to all cft_3 subroutines . 4) hpsort.f90 erf.f90 simpson.f90 moved to flib . everything seem to compile fine, at least on IBM carlo git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-14 07:10:25 +08:00
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
lapack_t3e : lapack_t3e.o
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) flib.a $?
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
"configure" bug for pc cluster and intel 6 Make.rules_cpp => Rules.cpp, Make.rules_nocpp => Rules.nocpp lapack_mkl.f added, __MKL removed Make.{fujutsu,sxcross}, compile error in restart.f90 (Guido) electrons, punch_band, plot_bands: use the same format for reading and writing eigenvalues git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@119 c92efa57-630b-4861-b058-cf58834340f0
2003-03-10 22:49:21 +08:00
lapack_mkl : lapack_mkl.o
$(AR) $(ARFLAGS) flib.a $?
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
"configure" bug for pc cluster and intel 6 Make.rules_cpp => Rules.cpp, Make.rules_nocpp => Rules.nocpp lapack_mkl.f added, __MKL removed Make.{fujutsu,sxcross}, compile error in restart.f90 (Guido) electrons, punch_band, plot_bands: use the same format for reading and writing eigenvalues git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@119 c92efa57-630b-4861-b058-cf58834340f0
2003-03-10 22:49:21 +08:00
Added missing lapack for Mac OS + Atlas (Pascal Thibadeau) configure not yet configured to recognize "lapack_atlas" git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1398 c92efa57-630b-4861-b058-cf58834340f0
2004-10-26 16:22:15 +08:00
lapack_atlas : lapack_atlas.o dlamch.o
$(AR) $(ARFLAGS) flib.a $?
touch $@
wrapper again git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@167 c92efa57-630b-4861-b058-cf58834340f0
2003-04-18 20:22:38 +08:00
eispack : eispack.o
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
touch $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
dlamch.o : dlamch.f
cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1714 c92efa57-630b-4861-b058-cf58834340f0
2005-03-16 19:45:27 +08:00
$(F77) $(FFLAGS_NOOPT) -c $<
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
ptools.a : $(POBJS)
RANLIB removed, ar -> $(AR) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@78 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 17:41:45 +08:00
$(AR) $(ARFLAGS) $@ $?
Minor mac os-x fix git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1154 c92efa57-630b-4861-b058-cf58834340f0
2004-08-23 17:47:32 +08:00
$(RANLIB) $@
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
Cleanup [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
2003-12-02 23:47:00 +08:00
clean :
Modules becmod, rbecmod (one variable each) merged into a single module (with two variables...) - More USPP merge git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@954 c92efa57-630b-4861-b058-cf58834340f0
2004-06-13 04:37:01 +08:00
- /bin/rm -f ptools.a *.o *.mod *.i *.F90 core* work.pc flib.a \
flib.a is only redone when necessary [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@535 c92efa57-630b-4861-b058-cf58834340f0
2004-01-28 17:36:36 +08:00
blas_and_lapack blas lapack lapack_ibm lapack_t3e \
Added missing lapack for Mac OS + Atlas (Pascal Thibadeau) configure not yet configured to recognize "lapack_atlas" git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1398 c92efa57-630b-4861-b058-cf58834340f0
2004-10-26 16:22:15 +08:00
lapack_mkl eispack lapack_atlas
O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-20 05:58:50 +08:00
renamed .dependencies to make.depend, added them to CVS [Gerardo] git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1434 c92efa57-630b-4861-b058-cf58834340f0
2004-11-09 18:53:55 +08:00
include make.depend