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286 Commits

Author SHA1 Message Date
spigafi 84eb939b91 (semi)automated release script/procedure reflecting 6.0 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13088 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-04 17:37:33 +00:00
spigafi 013cee3dff One space too much... 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13064 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-02 14:19:08 +00:00
spigafi 11fe7bba45 Update packaging procedure 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13063 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-02 13:59:36 +00:00
spigafi 8542d4ebca GWW clean step missing 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13062 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-02 13:11:16 +00:00
spigafi 69cd3955c0 PWgui included in qe source package 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13057 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-02 10:01:15 +00:00
spigafi 9f1324e20b "Examples" is a new external target 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13056 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-02 09:32:22 +00:00
spigafi ad603aeaed New packaging 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13052 c92efa57-630b-4861-b058-cf58834340f0
 2016-10-01 17:20:29 +00:00
kokalj 831aec3eb4 removing the "if" around the "gui" target description, which prevented its printout 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13030 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-27 09:12:16 +00:00
paulatto 36b863d7cd Added automatic download and compialtion of D3Q and phonon thermal transport codes 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12984 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-19 13:03:44 +00:00
spigafi fdd3a54ed3 Leftover to be removed during distclean 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12956 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-11 15:41:38 +00:00
spigafi 7f7807a958 Netlib BLAS is part of Netlib LAPACK (same packaging). No point to keep two 
separated targets. Configure option will reflect this as well. More cleaning 
needed toward simplified makefiles


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12939 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-09 14:27:10 +00:00
spigafi 7dbc8682dd Cleaning GPU targets. Version numbers updated. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12875 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-29 13:06:21 +00:00
giannozz 325d3a75c6 The last changes to the makedeps script were not so smart (the script itself is 
not so smart and should be simplified as much as possible). Minor Makefile 
change: it is no longer needed to compile Modules in order to run the makedeps
script (it is sufficient to regenerate the version.f90 file). 
make.depend updated: there were several dependencies of nonexistent files.   


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12873 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-29 12:42:14 +00:00
giannozz 535580646f Better usage of PREFIX, upon suggestion by Nick Thompson 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12746 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-16 12:35:38 +00:00
kokalj 2cbb592184 adding tar-qe-modes target for making the QE-modes tarball 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12649 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-02 16:29:58 +00:00
giannozz 02ce4df8d6 make.sys => make.inc. All other codes using make.sys should modify their build 
mechanism accordingly.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12539 c92efa57-630b-4861-b058-cf58834340f0
 2016-06-25 07:26:50 +00:00
spigafi ebe5b82a32 Little changes that only affect behaviour with BuildBot 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12415 c92efa57-630b-4861-b058-cf58834340f0
 2016-05-18 08:09:12 +00:00
spigafi 9091dbcf18 Minor fixes to make install 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12407 c92efa57-630b-4861-b058-cf58834340f0
 2016-05-15 16:46:55 +00:00
giannozz ce5c59e8fb Misc problems noticed by David Strubbe 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12388 c92efa57-630b-4861-b058-cf58834340f0
 2016-05-04 20:20:39 +00:00
giannozz df30a665aa Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 
prevent trouble with OS-X. May or may not work (it won't unless configure
is updated: please somebody with v.2.63 of autoconf do it), may turn out to
be obsolete anyway.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12364 c92efa57-630b-4861-b058-cf58834340f0
 2016-04-27 14:53:38 +00:00
spigafi 9f75263c56 Final fixes for EPW build process. Now it works ... yeee 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12356 c92efa57-630b-4861-b058-cf58834340f0
 2016-04-25 17:19:14 +00:00
giannozz 958bb5da4d "make clean" should now clean LR_Modules as well 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12184 c92efa57-630b-4861-b058-cf58834340f0
 2016-02-28 16:45:02 +00:00
timrov 01bf571bd4 The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 
Further reunification of TDDFPT with the routines in LR_Modules can and should be done.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12183 c92efa57-630b-4861-b058-cf58834340f0
 2016-02-28 15:47:13 +00:00
giannozz 1fea499fae Since we are in the process of moving stuff around, I think it is a good 
moment to get rid of flib/, whose usefulness is far from obvious. The content
of flib/ is now in Modules/. Many makefiles updated and little more. 

Packages using QE routines should just remove links to flib/flib.a.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12072 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-26 12:51:02 +00:00
giannozz 9b1d94e96c "make clean" wasn't making clean atomic/ and NEB/ 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12068 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-25 22:03:19 +00:00
ccavazzoni 7f09771383 - LAXlib 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12061 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-23 20:09:07 +00:00
degironc c436762fe4 dependencies and Makefiles updated so that "make all" compiles 
PH/phcom.f90 split in PH/phcom.f90 + LR_Modules/lrcom.f90 that contains
qpoint module 
A number of routines using these variables needed to be modified to explicitely
load qpoint (in addition to phcom)



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12005 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-18 22:48:44 +00:00
giannozz cb579e7730 First attempt of a compilation of the new linear-response modules (of course 
it fails)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12003 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-18 19:32:00 +00:00
spigafi 07bf01efb6 Layla had last-minute second thoughts... 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11971 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-08 16:15:18 +00:00
giannozz 1bb16ac2c1 Minor udpdates to documentation, version number updated to 5.3 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11966 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-08 15:25:24 +00:00
spigafi 33438bfa8a Adding SaX 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11964 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-08 13:38:50 +00:00
spigafi 3e9b29fbb1 Added make distclean: revert distribution to the original status 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11957 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-08 10:51:21 +00:00
spigafi 6dfb6a5239 New Makefile message if no target specified 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11934 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-05 15:18:42 +00:00
spigafi 2695599b83 test-suite can be called via make (limitations apply, for now). 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11922 c92efa57-630b-4861-b058-cf58834340f0
 2015-12-26 19:45:20 +00:00
ccavazzoni fdf7766648 - FFT Modules replaced by FFTXlib 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11857 c92efa57-630b-4861-b058-cf58834340f0
 2015-11-21 10:37:48 +00:00
spigafi f58c54d78d Calling EPW Makefile 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11795 c92efa57-630b-4861-b058-cf58834340f0
 2015-10-20 15:07:24 +00:00
spigafi 3fccfcd10a Updated release version numbers. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11756 c92efa57-630b-4861-b058-cf58834340f0
 2015-09-23 18:19:46 +00:00
spigafi 3bafe8315b Added WEST 1.0.1 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11599 c92efa57-630b-4861-b058-cf58834340f0
 2015-06-20 14:54:27 +00:00
spigafi feaa0c91ed Proper cleaning. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11579 c92efa57-630b-4861-b058-cf58834340f0
 2015-06-16 14:28:07 +00:00
ferretti d08fb932ad automatic compilation of yambo updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11560 c92efa57-630b-4861-b058-cf58834340f0
 2015-06-05 13:24:27 +00:00
giannozz ccf81750f8 More addusdens sepeedup, at the price of some more memory usage; minor cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11470 c92efa57-630b-4861-b058-cf58834340f0
 2015-04-06 20:36:31 +00:00
giannozz e4c1aa9709 Workaround for name conflict with WanT, courtesy of Alin Marin Elena 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11254 c92efa57-630b-4861-b058-cf58834340f0
 2014-11-07 13:24:01 +00:00
spigafi 8140b42424 Enabling --prefix 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11241 c92efa57-630b-4861-b058-cf58834340f0
 2014-10-30 16:14:03 +00:00
spigafi a1363138c9 Harmless change in PH compile chain (but helps to build PH for QE-GPU) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11130 c92efa57-630b-4861-b058-cf58834340f0
 2014-08-04 15:54:35 +00:00
marsamos 93d175bde2 deleted Environ related lines 
in main Makefile



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10760 c92efa57-630b-4861-b058-cf58834340f0
 2014-02-25 10:44:49 +00:00
dalcorso fd9c752dea Avoid to include the tempdir directory in the tar file. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10749 c92efa57-630b-4861-b058-cf58834340f0
 2014-02-21 16:04:06 +00:00
giannozz 895a178c82 More minor mingw and windows build problems 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10595 c92efa57-630b-4861-b058-cf58834340f0
 2013-11-08 20:16:51 +00:00
giannozz 7c01062ba0 Final (?) set of changes to the build system, especially for Windows (Axel) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10590 c92efa57-630b-4861-b058-cf58834340f0
 2013-11-07 21:06:06 +00:00
giannozz 195a2528d2 Final round of missing communicators in mp_bcast; "make all" always stoping 
in case of compilation errors (Axel)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10582 c92efa57-630b-4861-b058-cf58834340f0
 2013-11-06 14:11:52 +00:00
giannozz f254b4b392 More minor fixes from Axel for windows build 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10581 c92efa57-630b-4861-b058-cf58834340f0
 2013-11-06 07:28:49 +00:00