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94 Commits

Author SHA1 Message Date
giannozz e16529cb75 Port to Alpha linux with compaq compiler (Axel) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1335 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-27 08:22:18 +00:00
ballabio faf6433904 added case ifc7 on linux64 [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1330 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-22 14:20:06 +00:00
ballabio 132bb69e8c added ARCH=xxx option to configure [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1293 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-15 15:11:27 +00:00
ballabio eb7a51e62b ifort 8.1 needs -lpthread to use mkl [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1287 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-15 09:21:02 +00:00
ballabio 1e46bb02a6 added mpf90, mpcc for Mac [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1286 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-15 08:02:26 +00:00
ballabio 752a6e0a5b don't try f77 as f90, won't work anyway [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1247 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-07 09:11:57 +00:00
ballabio fe8aea1145 added support for efc (alias ifort) [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1205 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-02 12:29:49 +00:00
ballabio 9c530c68a9 small fix for Mac [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1198 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-01 10:32:08 +00:00
ballabio 9314706461 improved check for blas [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1191 c92efa57-630b-4861-b058-cf58834340f0
 2004-08-30 12:18:03 +00:00
ballabio da6c1952bc bugfix for configure on AIX [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1142 c92efa57-630b-4861-b058-cf58834340f0
 2004-08-20 13:15:35 +00:00
giannozz f17501572d 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
 2004-08-09 16:35:51 +00:00
ballabio 4155347d5f added (partial) support for Cray X1 (contributed by Roberto Ansaloni) 
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1067 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-14 10:21:04 +00:00
ballabio b7875e856c small bug fix [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@991 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-23 14:45:08 +00:00
ballabio 3a7fa8bff6 fix for pgi compiler [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@989 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-22 14:17:09 +00:00
ballabio 85ce938f79 added support for Opteron (contributed by Davide Ceresoli) [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@984 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-21 13:05:28 +00:00
ballabio 51f9abf149 removed obsoleted compiler flag -DHAS_ZHEGVX [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@895 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-18 10:32:28 +00:00
ballabio 54d77d1e79 now should work also if compilers have nonstandard names (on Linux) 
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@879 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-12 14:21:25 +00:00
ballabio eb22926786 added support for g95 
several small fixes to get it to compile [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@859 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-06 13:06:16 +00:00
ballabio d3e418a684 fixed --disable-parallel [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@852 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-04 16:18:42 +00:00
ballabio cc09da3f25 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@851 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-04 11:05:45 +00:00
giannozz 04fc1b9d21 DIRECT_IO_FACTOR for intel compiler reverted to 8, compiler option used 
instead. Lowdin charges are printed for each spin component (PG)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@842 c92efa57-630b-4861-b058-cf58834340f0
 2004-04-30 14:26:52 +00:00
ballabio f7784bbfbf added check for MKL 7.0 [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@814 c92efa57-630b-4861-b058-cf58834340f0
 2004-04-23 15:54:00 +00:00
ballabio ef2937f3b0 Removed checks on sizes of types [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@813 c92efa57-630b-4861-b058-cf58834340f0
 2004-04-22 16:04:35 +00:00
giannozz 5b74c1aa22 Cleanup: integer conversion to real performed with "dble" everywhere 
minor things here and there


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@765 c92efa57-630b-4861-b058-cf58834340f0
 2004-04-03 13:24:17 +00:00
ballabio 7241650dee added support for Itanium/Intel compiler [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@739 c92efa57-630b-4861-b058-cf58834340f0
 2004-03-19 15:01:49 +00:00
ballabio f0c6e88b31 Added --disable-parallel and --disable-shared flags [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@670 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-25 13:59:47 +00:00
ballabio eae2d2aab9 small bug fix for alpha [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@654 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-24 10:41:58 +00:00
ballabio 005818ee70 added settings for alpha machines, contributed by Guido Roma [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@626 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-19 16:06:36 +00:00
ballabio e37a462e6e bug fixed, couldn't find blas sometimes [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@625 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-19 14:51:23 +00:00
ballabio 5c05d7f917 removed TOPDIR from make.sys, using .. instead [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@611 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-18 10:35:30 +00:00
ballabio b07aed3ead bug fix [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@610 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-18 09:28:06 +00:00
ballabio 281c81e064 small bug fixes [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@609 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-17 14:28:38 +00:00
ballabio 72e252f201 This may be the final version for 2.0 [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@606 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-16 19:00:41 +00:00
ballabio 1a3d92603f small enhancements [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@605 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-16 17:30:59 +00:00
ballabio ae17e596a4 rewritten installation instructions [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@594 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-13 15:07:55 +00:00
ballabio f76e5c92a1 using LIBDIRS to search for libraries [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@582 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-11 10:50:03 +00:00
ballabio 4b55d9ab80 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@476 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-09 14:27:01 +00:00
ballabio 134d05c618 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@475 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-09 11:31:26 +00:00
ballabio c087aed954 Added support for ifort (Intel compiler 8) (not tested) [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@474 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-09 11:10:12 +00:00
ballabio ff247c327d Cleanup [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@439 c92efa57-630b-4861-b058-cf58834340f0
 2003-12-02 15:47:00 +00:00
ballabio 5f18d439fb fixed problem with xlf90/xlf77 on AIX [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@417 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-21 10:50:52 +00:00
ballabio 63b4a196f6 use *xlf90* instead of *xlf* on AIX [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@415 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-21 10:39:10 +00:00
ballabio bce477442d misc improvements in Makefile and configure.new [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@406 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-19 17:10:26 +00:00
ballabio a3908418b6 added autoconf-based configure (file "configure.new") and related files 
[Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@392 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-13 13:35:10 +00:00