e4d773e510
Davide forgot to add his name ;-)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11954 c92efa57-630b-4861-b058-cf58834340f0
2016-01-07 17:27:04 +00:00
06487d8061
gipaw 5.3
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11952 c92efa57-630b-4861-b058-cf58834340f0
2016-01-07 09:09:53 +00:00
f7583502ea
Added info in plugin_list.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11951 c92efa57-630b-4861-b058-cf58834340f0
2016-01-07 08:56:45 +00:00
3cf6a35d53
plugin references updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11950 c92efa57-630b-4861-b058-cf58834340f0
2016-01-06 22:54:47 +00:00
6835f0adde
Update maintainers names
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11948 c92efa57-630b-4861-b058-cf58834340f0
2016-01-06 22:06:20 +00:00
f822caf7d9
yambo and want configuration/compilation updated.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11944 c92efa57-630b-4861-b058-cf58834340f0
2016-01-06 13:32:50 +00:00
de9f9836d0
Moving from monolithic to modular configure (enhancements commit in a second stage).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11942 c92efa57-630b-4861-b058-cf58834340f0
2016-01-05 23:16:22 +00:00
fd26b4823b
Script to (re)generate configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11937 c92efa57-630b-4861-b058-cf58834340f0
2016-01-05 17:23:05 +00:00
d304cd6a97
Minor updates.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11926 c92efa57-630b-4861-b058-cf58834340f0
2015-12-29 08:01:27 +00:00
20634c2221
Simple is good
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11924 c92efa57-630b-4861-b058-cf58834340f0
2015-12-27 17:08:03 +00:00
2695599b83
test-suite can be called via make (limitations apply, for now).
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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
b776481b38
yambo download and management as a plugin updated.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11915 c92efa57-630b-4861-b058-cf58834340f0
2015-12-17 18:04:29 +00:00
adb2110747
- again dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11861 c92efa57-630b-4861-b058-cf58834340f0
2015-11-21 11:14:56 +00:00
0f6b93868d
- fix dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11860 c92efa57-630b-4861-b058-cf58834340f0
2015-11-21 11:08:30 +00:00
fdf7766648
- FFT Modules replaced by FFTXlib
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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
de20984a52
Minor updates to documentation, misspell
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11822 c92efa57-630b-4861-b058-cf58834340f0
2015-11-02 10:27:46 +00:00
08b8ca183e
W90 updated to v.2.0.1, downloaded directly from its web site
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11809 c92efa57-630b-4861-b058-cf58834340f0
2015-10-25 21:22:18 +00:00
aa80e97a06
Added basic support for NAG (NAG Fortran >6.0).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11807 c92efa57-630b-4861-b058-cf58834340f0
2015-10-25 19:24:20 +00:00
27884f769b
Ready for release v5.2.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11757 c92efa57-630b-4861-b058-cf58834340f0
2015-09-23 20:09:52 +00:00
3fccfcd10a
Updated release version numbers.
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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
476f92be33
More fixes for NAG Fortran compiler...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11750 c92efa57-630b-4861-b058-cf58834340f0
2015-09-22 21:32:14 +00:00
57664bf7b2
Something from an acirnt past that probably is not valid anymore...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11749 c92efa57-630b-4861-b058-cf58834340f0
2015-09-22 20:48:37 +00:00
c914890b4a
More fixes for NAG compiler, activated by -D__NAG, for iargc, getarg intrinsic
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11742 c92efa57-630b-4861-b058-cf58834340f0
2015-09-20 09:10:55 +00:00
7965073c68
Recornizes and accepts new version of OSX
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11706 c92efa57-630b-4861-b058-cf58834340f0
2015-08-25 21:02:09 +00:00
396685f9fd
Script for dependencies, dependencies of CP updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11680 c92efa57-630b-4861-b058-cf58834340f0
2015-08-18 08:24:39 +00:00
d0c404e734
Updated GNU autoconf files to better identify new platform (e.g. POWER, ARM, etc).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11665 c92efa57-630b-4861-b058-cf58834340f0
2015-08-03 21:35:06 +00:00
d15077b4ef
Yet another minor change to the script looking for dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11660 c92efa57-630b-4861-b058-cf58834340f0
2015-07-29 14:15:46 +00:00
00b0b360ff
Recently added dependency must not appear in make.depend
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11649 c92efa57-630b-4861-b058-cf58834340f0
2015-07-23 16:44:15 +00:00
da5e0f56fb
Avoid to delete West during veryclean
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11609 c92efa57-630b-4861-b058-cf58834340f0
2015-07-06 20:18:07 +00:00
c0f3477921
Updated version number.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11601 c92efa57-630b-4861-b058-cf58834340f0
2015-06-20 15:17:03 +00:00
44eb13bdc6
Updated various version numbers
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11600 c92efa57-630b-4861-b058-cf58834340f0
2015-06-20 15:15:13 +00:00
3bafe8315b
Added WEST 1.0.1
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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
31b61d517a
automatic compilation of yambo-devel updated to v4.0.1
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for safety reasons, only the serial build is done automatically
and a message is given.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11588 c92efa57-630b-4861-b058-cf58834340f0
2015-06-19 17:42:49 +00:00
a114d8b174
qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11568 c92efa57-630b-4861-b058-cf58834340f0
2015-06-11 13:51:00 +00:00
d08fb932ad
automatic compilation of yambo updated
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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
8e410c2fd2
Minor cleanup of script finding dependencies, version number updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11419 c92efa57-630b-4861-b058-cf58834340f0
2015-03-03 15:08:06 +00:00
23f8d0197a
make depend was no longer working
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11417 c92efa57-630b-4861-b058-cf58834340f0
2015-03-03 09:51:11 +00:00
778b90599e
Final detalis for 5.1.2 release
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11416 c92efa57-630b-4861-b058-cf58834340f0
2015-03-02 09:07:53 +00:00
bd22e47007
Removed last #ifdef __PARA
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11401 c92efa57-630b-4861-b058-cf58834340f0
2015-02-19 14:41:17 +00:00
b955bd6b11
Copying QE with "scp -r" causes the link $espresso/iotk -> $espresso/S3DE/iotk to become a directory.
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Issuing "make clean" only cleans $espresso/S3DE/iotk, while pw is linked to $espresso/iotk/ which causes every kind of problems.
I have added 2 lines to delete $espresso/iotk/ if it is a directory, the link will be recreated anyway when doing "make pw".
LP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11290 c92efa57-630b-4861-b058-cf58834340f0
2014-12-11 10:15:07 +00:00
1f837b3bb2
Links to add-on packages updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11267 c92efa57-630b-4861-b058-cf58834340f0
2014-11-13 21:16:34 +00:00
05616dd69c
Updated configure, deprecated flags for latest Intel compiler 15.x (and btw, the default is OFF)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11263 c92efa57-630b-4861-b058-cf58834340f0
2014-11-12 15:28:33 +00:00
b0410b3df9
Fixes for compilation of the new version of WanT (Andrea Ferretti)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11252 c92efa57-630b-4861-b058-cf58834340f0
2014-11-06 14:49:42 +00:00
8140b42424
Enabling --prefix
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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
d6e94a2f9f
If PGI is used, check first Intel MKL then ACML. Works single and multi-threading. Tested using PGI 14.7 and Intel MKL 11.1, not yet ready to handle the CRAY case.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11145 c92efa57-630b-4861-b058-cf58834340f0
2014-08-23 18:49:48 +00:00
11a769ab1a
Updated PathScale recognition ported to new modular configure
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May or may not work!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11141 c92efa57-630b-4861-b058-cf58834340f0
2014-08-19 15:17:45 +00:00
8d0a8bd8b0
Updated configure for PathScale compiler, courtesy of Åke Sandgren
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11140 c92efa57-630b-4861-b058-cf58834340f0
2014-08-19 15:06:58 +00:00
392c0bd069
Fix: recornize GFORTRAN and multi-threaded Intel MKL.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11137 c92efa57-630b-4861-b058-cf58834340f0
2014-08-10 19:30:47 +00:00
b22f09cb70
New modular configure based on GNU M4 macros -- still beta
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11135 c92efa57-630b-4861-b058-cf58834340f0
2014-08-07 09:55:24 +00:00
44c126563f
Download of qe-gpu updated to v.14.06.0
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PWgui uses now ".tar.gz", like all other packages, instead of ".tgz"
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11092 c92efa57-630b-4861-b058-cf58834340f0
2014-07-18 10:45:21 +00:00
spigafi