Commit Graph

150 Commits

Author SHA1 Message Date
giannozz 0f87e3f8c0 Axel's suggested flags for ifort v.9 + mkl is now correctly implemented
but temporarily disabled - apparently it doesn't work in some cases


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3825 c92efa57-630b-4861-b058-cf58834340f0
2007-02-28 17:08:31 +00:00
giannozz 5c26f72021 Second attempt to implement Axel's suggested flags for ifort v.9 + mkl
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3822 c92efa57-630b-4861-b058-cf58834340f0
2007-02-27 16:57:37 +00:00
giannozz 0116b4e4c4 oops, configure confusion ...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3806 c92efa57-630b-4861-b058-cf58834340f0
2007-02-22 08:08:33 +00:00
giannozz d654a566a7 Compilation of VIB removed from Makefile. TODO updated.
configure updated following Axel's suggestion on semi-static linking


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3799 c92efa57-630b-4861-b058-cf58834340f0
2007-02-21 12:44:17 +00:00
giannozz d2634693b8 Minor configure updates for nec
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3778 c92efa57-630b-4861-b058-cf58834340f0
2007-02-13 15:38:19 +00:00
giannozz a60c0573f4 There isn't a strong reason to try a different compiler for F77 and
F90. In at least some cases (eg F90=g95), this may create problems.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3775 c92efa57-630b-4861-b058-cf58834340f0
2007-02-09 12:42:37 +00:00
giannozz 3a27d4dc0c Configure updated for Nec
"makedeps.sh directory" works if there is "/" at the end of directory name


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3742 c92efa57-630b-4861-b058-cf58834340f0
2007-02-02 17:56:08 +00:00
giannozz 1bd9f027f3 Updated configure for SX6 (Guido)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3530 c92efa57-630b-4861-b058-cf58834340f0
2006-11-14 17:11:58 +00:00
giannozz 6595b18056 Yesterday's changes to configure were not that smart after all:
changing cross_compilation may have unexpected side effects.
Now ranlib is set to echo only if a true corss compilation is performed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3516 c92efa57-630b-4861-b058-cf58834340f0
2006-11-08 08:15:51 +00:00
giannozz 3c0d2a794b Configure for Nec SX6 (courtesy of Guido Roma)
Minor configure problem: do not load lapack if acml is present
on AMD with pgf90 compiler
Documentation update
Makefile: save cvs2cl.pl script


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3515 c92efa57-630b-4861-b058-cf58834340f0
2006-11-07 16:02:47 +00:00
giannozz 77f79524f8 Yet another configure glitch: missing $ in variable name.
As a consequence, internal blas were not loaded when needed.
Note that the large change in configure is due to the different
version of autoconf, not to the 1-character change in configure.ac


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3504 c92efa57-630b-4861-b058-cf58834340f0
2006-11-03 09:55:19 +00:00
sbraccia f1b7789a5a INCLUDEFFTW environment variable was not properly used. Added the possibility to set
PGPLOT_LIBS environment variable.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3497 c92efa57-630b-4861-b058-cf58834340f0
2006-10-29 23:20:12 +00:00
giannozz 454900a07b Better detection of atlas libraries
script makedeps.sh accepts a directory as argument


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3468 c92efa57-630b-4861-b058-cf58834340f0
2006-10-19 21:17:24 +00:00
giannozz 0263240f32 More fun with "configure": some cleanup + fixes for bugs introduced
with the latest changes


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3442 c92efa57-630b-4861-b058-cf58834340f0
2006-10-09 16:21:45 +00:00
giannozz 27c4f86482 Do not ignore (but do not check either) the values of BLAS_LIBS and
LAPACK_LIBS if set


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3440 c92efa57-630b-4861-b058-cf58834340f0
2006-10-06 20:58:03 +00:00
giannozz 0874b4a10c More minor installation cleanup
lapack_mkl.f does not seem to be needed any longer starting from mkl v6 or so
Since earlier versions are not supported by configure anyway I removed it


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3436 c92efa57-630b-4861-b058-cf58834340f0
2006-10-05 21:11:19 +00:00
giannozz af76cd8021 More installation cleanup / messup :
blas and lapack libraries are specified solely in BLAS_LIB and LAPACK_LIB,
no more in MYLIB. A Lapack library is always compiled but used only if
needed. Problem with conflicting essl/lapack on cineca sp5 solved (i hope)
Re-run configure before complaining that nothing works !


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3435 c92efa57-630b-4861-b058-cf58834340f0
2006-10-05 18:00:50 +00:00
giannozz bd24b32d6f Installation cleanup (maybe) : the blas libraries are always compiled,
loaded only when nothing else is found using BLAS_LIBS


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3434 c92efa57-630b-4861-b058-cf58834340f0
2006-10-05 01:19:44 +00:00
giannozz cc73a76a46 - misspell in configure
- symmetrize_at needed for compilation of PP
- more preprocessing cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3427 c92efa57-630b-4861-b058-cf58834340f0
2006-10-03 14:29:27 +00:00
giannozz aab0e4a65b More preprocessing and installation cleanup (or maybe messup)
The include file for C routines is generated by configure,
in a way that should be very general and robust.  Beware:
you need to re-run configure to regenerate include/c_defs.h


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3423 c92efa57-630b-4861-b058-cf58834340f0
2006-09-29 15:25:53 +00:00
giannozz 2bbb557fd4 Bug in the --disable-parallel option of configure fixed.
It had gone unnoticed for a long time, but the recent changes
made its presence noticeable via a rather obscure failure.
C_POINTER is defined integer*N instead of integer(kind=N).
The former definition is obsolescent but always valid, while the latter
may fail for compilers (ex. NAG) not using the length in bytes as kind


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3413 c92efa57-630b-4861-b058-cf58834340f0
2006-09-22 12:49:52 +00:00
giannozz 7d8cbc267d oops, I forgot this
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3412 c92efa57-630b-4861-b058-cf58834340f0
2006-09-21 20:12:02 +00:00
giannozz 43e4e5d38d There is no reason to generate dependencies every time. Files
make.depend are now in the CVS and shouldn't be updated unless
needed. Configure no longer runs makedeps.sh. Type 'make depend'
to regenerate dependencies.

Remove all */make.depend files before updating!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3409 c92efa57-630b-4861-b058-cf58834340f0
2006-09-21 17:49:53 +00:00
giannozz 1beef54c1c The check for dependencies must be done after fft_defs.h is written
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3408 c92efa57-630b-4861-b058-cf58834340f0
2006-09-21 15:35:25 +00:00
giannozz fe7f0cfee7 More installation cleanup (or maybe messup): "configure" should now
recognize the correct length of fortran integer variables containing
C pointers, writing it into file include/fft_defs.h . Side effects
not unlikely, please check and correct if you can (and dare to).
Version number moved to 3.2cvs


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3407 c92efa57-630b-4861-b058-cf58834340f0
2006-09-21 15:23:47 +00:00
giannozz 5d0678797a Several unused variables removed from configure and make.sys
configure should automatically recognize if "memstat" will work


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3404 c92efa57-630b-4861-b058-cf58834340f0
2006-09-20 12:26:19 +00:00
cavazzon fafe34f06b - fixed a configuration problem with pgi compiler and preprocessor
- elapsed_seconds substituted by cclock
- fortran version of scnds substituted by c version.

now time information is taken only through:
cclock   for the real wall clock time
scnds    for cpu time of the running process
defined in file clib/cptimer.c


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3400 c92efa57-630b-4861-b058-cf58834340f0
2006-09-19 17:00:18 +00:00
giannozz 2956309aee Support for gfortran added (?) to configure; some configure cleanup
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3392 c92efa57-630b-4861-b058-cf58834340f0
2006-09-14 17:08:51 +00:00
giannozz fb5318a4e7 Fixes for Mac OSX and XLF (courtesy of Pascal Thibaudeau)
Documentation updates


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3386 c92efa57-630b-4861-b058-cf58834340f0
2006-09-13 16:41:56 +00:00
giannozz 65988cde08 Minor changes related to Mac OS-X support - hopefully no more need to
locate malloc.h and to define __MAC


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3379 c92efa57-630b-4861-b058-cf58834340f0
2006-09-12 16:17:24 +00:00
giannozz 2fb4a947a1 Support for Mac OS-X (Intel) with g95 added in configure
re-aligned configure and configure.ac
fixed minor format glitches signaled by g95
added __XLF preprocessing option
updated documentation and Make.*, removed obsolete Make.ibm*


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3374 c92efa57-630b-4861-b058-cf58834340f0
2006-09-11 12:56:12 +00:00
giannozz 01140a43b9 Misc installation changes:
- configure updated for mkl v. 8.1
- added some explanation of the meaning of all variables to the
  template make.sys.in
- configure.old and related documentation removed;
  a short section in README.install explains what to do
- the (obsolete) case of ifc v.6 and earlier extracted from
  configure and configure.old and confined in a single script
  (ifcmods.sh)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3280 c92efa57-630b-4861-b058-cf58834340f0
2006-07-24 21:15:20 +00:00
giannozz 6ff55479e9 Added support for Pathscale compiler (courtesy of Paolo Cazzato)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3252 c92efa57-630b-4861-b058-cf58834340f0
2006-07-06 15:50:28 +00:00
giannozz 84bb4944aa Fixed small bug (courtesy by David Prendergast)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3015 c92efa57-630b-4861-b058-cf58834340f0
2006-04-12 06:39:03 +00:00
giannozz 5331e5825a configure should now correctly set __ESSL
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2925 c92efa57-630b-4861-b058-cf58834340f0
2006-03-16 18:32:40 +00:00
giannozz c52b213c59 Documentation updtae
configure: option -fpe1 for alpha


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2884 c92efa57-630b-4861-b058-cf58834340f0
2006-03-08 10:07:42 +00:00
giannozz 0df6e4726b Doc and configure update (for sgi)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2830 c92efa57-630b-4861-b058-cf58834340f0
2006-02-16 16:46:41 +00:00
silviu eacf41b7e8 added flag '-assume buffered_io' when compiling on alpha systems, for improved i/o rates. [silviu]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2792 c92efa57-630b-4861-b058-cf58834340f0
2006-02-09 07:30:15 +00:00
giannozz 04829cc556 - Version number updated to 3.1
- Changed format when writing a copy of the UPF file: for some reason
  the free format adds an initial blank character, causing the program
  to fail when reading (in fixed format) additional info for spin-orbit.
  Format A is now used when writing, free format when reading. (AdC)
- More preprocessing cleanup and documentation: anybody having access
  to weird machines is kindly requested to verify if things work


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2732 c92efa57-630b-4861-b058-cf58834340f0
2006-01-26 16:42:14 +00:00
giannozz 11a97cf0c5 oops...this is the correct fixe for alpha with cxml
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2624 c92efa57-630b-4861-b058-cf58834340f0
2005-12-20 19:54:32 +00:00
giannozz 9a2ff547a9 Fix for Alpha + cxml
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2613 c92efa57-630b-4861-b058-cf58834340f0
2005-12-19 16:18:49 +00:00
ballabio fbf76f307a small fix [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2529 c92efa57-630b-4861-b058-cf58834340f0
2005-11-30 11:02:30 +00:00
ballabio a299b8883f split architectures:
linux32 --> ia32
linux64 --> ia64, amd64
check for acml on amd64
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2528 c92efa57-630b-4861-b058-cf58834340f0
2005-11-29 18:15:04 +00:00
silviu c50008a9b2 Fixing the definition of F77 for the cygwing environment. [silviu]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2390 c92efa57-630b-4861-b058-cf58834340f0
2005-10-28 22:18:36 +00:00
giannozz e069328cc9 Miscellaneous small fixes and additions
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2318 c92efa57-630b-4861-b058-cf58834340f0
2005-10-20 14:01:39 +00:00
giannozz c2b00a1aa1 configure extended to a few more cases (Axel)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2290 c92efa57-630b-4861-b058-cf58834340f0
2005-10-14 13:14:46 +00:00
silviu c14929df20 Added support for cygwin/g95 combination, for serial code. It seems that configure.ac is not used (???) and all changes were introduced in configure script directly.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2280 c92efa57-630b-4861-b058-cf58834340f0
2005-10-10 12:38:49 +00:00
ballabio d67a6334db g95 does have preprocessing, configure updated [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2266 c92efa57-630b-4861-b058-cf58834340f0
2005-10-06 16:38:53 +00:00
ballabio bba3053b97 another fix [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2263 c92efa57-630b-4861-b058-cf58834340f0
2005-10-06 10:08:41 +00:00
ballabio d1f46ac488 fixed problem with compilation rules [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2262 c92efa57-630b-4861-b058-cf58834340f0
2005-10-06 09:44:04 +00:00