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94 Commits

Author SHA1 Message Date
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
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
ballabio 670f4b64d5 now configure checks separately for serial and parallel compilers [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2258 c92efa57-630b-4861-b058-cf58834340f0
 2005-10-05 18:11:25 +00:00
ballabio 28f2c7e151 small change in configure output [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2246 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-28 17:23:50 +00:00
ballabio e6095f858c moved Espresso-specific stuff from configure to external file 
configure may now be used also for other projects [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2244 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-28 17:10:14 +00:00
ballabio 5c4650d89d added support for g95+mkl (second try) 
plus some editing to final messages [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2238 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-27 11:07:33 +00:00
ballabio 1d1662c84b added support for g95+mkl [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2237 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-27 10:29:39 +00:00
giannozz 3345d18428 Final output of configure is somewhat less confusing 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2208 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-22 16:20:09 +00:00
ballabio 2520086cc8 splitted LIBS into BLAS_LIBS, LAPACK_LIBS, FFT_LIBS etc. 
everybody please try reconfiguring and check if I broke anything
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1925 c92efa57-630b-4861-b058-cf58834340f0
 2005-05-31 14:23:38 +00:00
ballabio ae4564c717 - reorganization of library checks (more to come) 
- removed warnings that could intimidate little girls
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1853 c92efa57-630b-4861-b058-cf58834340f0
 2005-05-10 16:55:02 +00:00
giannozz d450333ead Various fixes for Mac by AK 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1797 c92efa57-630b-4861-b058-cf58834340f0
 2005-04-13 13:36:49 +00:00
ballabio f66875374b some reorganization [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1745 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-23 15:43:32 +00:00
ballabio 18fae8c1f6 now makedeps.sh prints something 
it was taking too much time without saying anything
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1725 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-18 11:30:21 +00:00
ballabio 5c4c8b9d26 more cleanup 
problems with f90flags_noopt fixed
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1715 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-16 12:20:24 +00:00
ballabio 765729b8b3 merged make.sys and make.rules together 
there was no reason they should be two different files
everybody must rerun configure
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1690 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-08 18:44:10 +00:00
ballabio ad3fbe7754 cleanup [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1688 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-08 16:51:41 +00:00
ballabio 5d6d65b2d0 added support for SUNperf library [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1636 c92efa57-630b-4861-b058-cf58834340f0
 2005-02-11 10:11:20 +00:00
degironc 7a813e2b34 added Raman and atomic in the list of directories that need intel.pcl 
file (for old version of ifc).

stefano


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1612 c92efa57-630b-4861-b058-cf58834340f0
 2005-02-02 13:41:10 +00:00
ballabio 814541ab25 fixed library path for g95 at cineca [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1604 c92efa57-630b-4861-b058-cf58834340f0
 2005-02-01 11:35:22 +00:00
ballabio bb3049d4b9 another bug fix with libraries [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1578 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-26 16:32:21 +00:00
ballabio 6b11ba0fbb configure always assumes to be cross-compiling [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1577 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-26 14:34:55 +00:00
ballabio 7eb6218eb3 fixed detection of mass libraries [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1576 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-26 11:24:20 +00:00
ballabio dea9920f5c fix for problem on a Sun [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1557 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-14 12:12:34 +00:00
ballabio 1a88ccf424 fixed problem when $(MAKE) wasn't defined [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1556 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-14 11:32:21 +00:00
giannozz c015af1f3c All mentions of obsolete directory PWNC/ removed 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1542 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-05 17:23:07 +00:00
ballabio f1e9a608f1 fixed conflict with make flags [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1528 c92efa57-630b-4861-b058-cf58834340f0
 2004-12-21 17:54:07 +00:00
ballabio eb58674bd9 Sun compiler wants -M instead of -I to look for modules [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1523 c92efa57-630b-4861-b058-cf58834340f0
 2004-12-21 15:47:43 +00:00
cazzato e9c9ae954b Added path for mkl 7.2 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1509 c92efa57-630b-4861-b058-cf58834340f0
 2004-12-14 14:08:31 +00:00
giannozz e35cb747e8 No need to scare people with unnecessary WARNING 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1496 c92efa57-630b-4861-b058-cf58834340f0
 2004-12-07 08:24:59 +00:00
cavazzon 87700b86cc - some more changes relative to FPMD files 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1481 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-25 15:43:24 +00:00
ballabio 2221832461 workaround for problem with systems where you can't run interactively 
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1477 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-25 11:33:35 +00:00
ballabio 2b8623bf74 added F90FLAGS_NOOPT flag (asked by Carlo C.) [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1476 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-24 17:34:47 +00:00
ballabio 7764af2bf2 added autoconf check for make [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1429 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-04 15:32:37 +00:00
giannozz f844069be0 Makefiles use now $(MAKE) and $(MFLAGS) as proposed by Axel - should allow 
for the use of GNU make in system having broken makefile - please test
Added path for mkl 7.0.1


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1427 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-04 15:02:30 +00:00
ballabio 73edf36bfa replaced grep -o [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1401 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-26 10:48:01 +00:00
ballabio 0a7851ebb1 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1400 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-26 10:34:55 +00:00
ballabio add36784d3 revert default to dynamic linking [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1368 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-06 12:23:52 +00:00
giannozz 4dbe176397 Forgotten to update SUN => __SUN 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1363 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-29 08:32:12 +00:00
ballabio 18c2460bec cleanup [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1360 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-28 10:51:50 +00:00
giannozz e6421f0da1 SUN => __SUN 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1357 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-28 10:07:54 +00:00
giannozz 4f68d24040 more patches from Axel Kohlmeyer - see ChangeLog for complete list 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1347 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-27 15:05:32 +00:00