e1451f6d75
Files make.depend updated
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Script generating make.depend temporarily modified so that it doesn't produce
invalid make.depend files due to references to (missing unless installed)
environ modules
Version number updated to 5.0.99 (got the message?)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10844 c92efa57-630b-4861-b058-cf58834340f0
2014-04-04 09:36:29 +00:00
a627fddf93
deleted unused line in deps of PW related to addson
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10761 c92efa57-630b-4861-b058-cf58834340f0
2014-02-25 10:49:52 +00:00
fcfd090b4c
search on environ/src and related deps deleted
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10758 c92efa57-630b-4861-b058-cf58834340f0
2014-02-25 08:31:01 +00:00
411c02fce9
Adding dependencies of TDDFPT on Environ module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10741 c92efa57-630b-4861-b058-cf58834340f0
2014-02-08 18:25:10 +00:00
d215ec7c1f
small cleaning, in variable DEPENDS
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10565 c92efa57-630b-4861-b058-cf58834340f0
2013-10-29 11:48:29 +00:00
84575c6117
now makedeps.sh able to search for new dependencies
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in addson directories
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10564 c92efa57-630b-4861-b058-cf58834340f0
2013-10-29 11:29:34 +00:00
658331b284
branch espresso-paw-exx merged back into the trunk. Beware all kinds of
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unexpected side effects!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10516 c92efa57-630b-4861-b058-cf58834340f0
2013-10-07 15:19:12 +00:00
a59b84d51b
updated for GWW
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10364 c92efa57-630b-4861-b058-cf58834340f0
2013-07-03 18:08:09 +00:00
88865886e0
Added support for new phonon directory PHonon/FD
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10233 c92efa57-630b-4861-b058-cf58834340f0
2013-05-08 10:35:25 +00:00
25b3e1debe
ACFDT => ACDFR => ACDFT: I hope is the good one
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10210 c92efa57-630b-4861-b058-cf58834340f0
2013-04-30 18:12:12 +00:00
c9ec869753
Remove obsolete directories from script finding dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10208 c92efa57-630b-4861-b058-cf58834340f0
2013-04-30 17:58:42 +00:00
3a8e0fd79e
Updated to work with GIPAW as well
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9794 c92efa57-630b-4861-b058-cf58834340f0
2013-01-18 09:18:59 +00:00
6f7c3830d7
make.depend and scrpt generating them updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9573 c92efa57-630b-4861-b058-cf58834340f0
2012-10-24 14:31:17 +00:00
f651c58175
The Intel compiler has a very informative backtrace routine.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9535 c92efa57-630b-4861-b058-cf58834340f0
2012-10-15 10:03:26 +00:00
e49ce4528a
Module mpi used in elpa was confusing the script that finds dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9458 c92efa57-630b-4861-b058-cf58834340f0
2012-09-29 11:05:45 +00:00
de7b82c60c
makedeps.sh wasn't working as expected, make.depend updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9016 c92efa57-630b-4861-b058-cf58834340f0
2012-05-20 17:34:00 +00:00
c9a8161195
Cleaned the makov-payne subroutine from most of the Environ related calculations, reverted makedeps.sh to the previous version.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8937 c92efa57-630b-4861-b058-cf58834340f0
2012-04-30 18:15:46 +00:00
c9e4a1da4f
Misc minor fixes: obsolete reference to libsolvent removed; module
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"solvent" removed from dependencies; make.depend updated; cleanup
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8925 c92efa57-630b-4861-b058-cf58834340f0
2012-04-25 12:46:47 +00:00
e070fdc000
Global change in name of the solvent-related module, going from Solvent to Environ. All the modifications are still
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contained within #ifdef __ENVIRON ... #endif statements, so no effects should be present for normal compilations.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8646 c92efa57-630b-4861-b058-cf58834340f0
2012-02-14 16:18:50 +00:00
34ad8ce250
VdW new dir structure
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example34 moved to VdW/examples/example01
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8422 c92efa57-630b-4861-b058-cf58834340f0
2012-01-10 14:08:15 +00:00
c2e12b5734
dir structure for PP changed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8404 c92efa57-630b-4861-b058-cf58834340f0
2012-01-09 10:02:08 +00:00
59d6818a9b
PW/src PW/tools compiling makedeps updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8335 c92efa57-630b-4861-b058-cf58834340f0
2011-12-14 17:33:33 +00:00
2496b745bd
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8158 c92efa57-630b-4861-b058-cf58834340f0
2011-09-21 13:43:24 +00:00
736249b7c3
Alternate way of stripping trailing slash
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8147 c92efa57-630b-4861-b058-cf58834340f0
2011-09-09 14:33:57 +00:00
768015a2b6
Script modified in such a way that it doesn't chokes if there are
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trailing slashes at the end of argument
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8146 c92efa57-630b-4861-b058-cf58834340f0
2011-09-09 14:26:59 +00:00
d058b1f08d
Updated makedeps script. Not sure how it can be done, but maybe it
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should also be split into various makedeps.sh in each subdirectory
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8125 c92efa57-630b-4861-b058-cf58834340f0
2011-08-31 10:48:55 +00:00
0a37b56e2b
PH/src compiling
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8113 c92efa57-630b-4861-b058-cf58834340f0
2011-08-25 15:39:20 +00:00
db2ca81972
CPV changed in dir structure. Working src, examples and tests
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8107 c92efa57-630b-4861-b058-cf58834340f0
2011-08-25 12:46:21 +00:00
c219f39ea2
atomic re-structured. Some fix on atomic/Doc Makefiles
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8100 c92efa57-630b-4861-b058-cf58834340f0
2011-08-23 09:39:15 +00:00
ecca04136b
PWCOND new dir structure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8093 c92efa57-630b-4861-b058-cf58834340f0
2011-08-16 11:08:13 +00:00
1278a44a26
NEB has new dir structure. Doc is not complete.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8078 c92efa57-630b-4861-b058-cf58834340f0
2011-08-12 08:29:45 +00:00
0a489bacb1
XSpectra re-organized. Fix compilation problems with pw/read_file
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and the new pseudo_read_mod
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8065 c92efa57-630b-4861-b058-cf58834340f0
2011-08-09 13:09:50 +00:00
170ed90444
Changed/removed all references to GIPAW.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7791 c92efa57-630b-4861-b058-cf58834340f0
2011-05-17 10:26:37 +00:00
9834261286
Modified the makedeps.sh to operate also on the Solvent directory, when present. Since at the moment the directory is not present
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in the official distribution, I would keep the workaround of Paolo Giannozzi to avoid false (they are all within ifdef blocks)
missing dependencies in PW.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7717 c92efa57-630b-4861-b058-cf58834340f0
2011-04-28 11:46:36 +00:00
0406ec0b82
The recent addition of pre-processed lines making reference to a module
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"solvent_base" not yet in the distribution breaks the script make.depends
This is just a workaround, waiting for better solutions
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7712 c92efa57-630b-4861-b058-cf58834340f0
2011-04-28 10:58:42 +00:00
473a19205a
All references to EE/ subdirectory and to libraries in Multigrid/ removed.
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Calls to variables and routines in EE/ commented, for the time being.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7226 c92efa57-630b-4861-b058-cf58834340f0
2010-11-18 15:49:00 +00:00
5220be7565
Mistake in last commit: quotes missing
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7199 c92efa57-630b-4861-b058-cf58834340f0
2010-11-08 15:38:34 +00:00
b8eb7a81af
PW does not (and must not!) depend any longer on modules in NEB - the
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previous dependency was due to the presence of leftover files
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7197 c92efa57-630b-4861-b058-cf58834340f0
2010-11-05 18:25:37 +00:00
c460bc9d83
Fix 'make depend' (N. Nemec)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7190 c92efa57-630b-4861-b058-cf58834340f0
2010-11-03 12:39:51 +00:00
9ac1c4ecaf
Remove dependency of XSpectra upon PP. Cleanup of calculations of dependencies
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7162 c92efa57-630b-4861-b058-cf58834340f0
2010-10-22 16:36:36 +00:00
edabe8c004
correct determination of dependencies for ACFDT
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7078 c92efa57-630b-4861-b058-cf58834340f0
2010-09-09 19:23:57 +00:00
d6f5e4c3e2
small update to NEB
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7040 c92efa57-630b-4861-b058-cf58834340f0
2010-08-30 12:16:05 +00:00
954d39aae8
small update to ACFDT
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7016 c92efa57-630b-4861-b058-cf58834340f0
2010-08-25 09:20:45 +00:00
4d3e329b8f
add ACFDT directory in the list checked for dependencies
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look for dependencies only if a directory exists
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7011 c92efa57-630b-4861-b058-cf58834340f0
2010-08-23 13:12:29 +00:00
ade4aca090
for subdirs // is needed.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6436 c92efa57-630b-4861-b058-cf58834340f0
2010-02-18 10:30:16 +00:00
e31d6fabfd
Workaround for PGI and Cray compilers that get confused by f77 files in
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Multigrid/: optimization for f77 files lowered from -fast to -O3
(courtesy of Filippo Spiga)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6414 c92efa57-630b-4861-b058-cf58834340f0
2010-02-15 18:34:26 +00:00
90d7bfc82d
Added fix to makedepend.sh so that it doesn't complain for fortran 2003
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"iso_c_binding" module it cannot find
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6380 c92efa57-630b-4861-b058-cf58834340f0
2010-02-09 15:26:21 +00:00
805b860d62
Merge of initial printout between CP and PW: CPV/environment.f90 moved
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to Modules/environment.f90 and generalized to PW and other codes.
PW/startup.f90 is kept as a wraper for now. The initial message in CP
looks now like the one in PW (please check if it satisfactory). The
compilation date has disappeared from info printed by CP: was it useful?
Makefiles and make.depends updated. ld1 does not depend any longer upon
files in PW/ . Miscellaneous cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6111 c92efa57-630b-4861-b058-cf58834340f0
2009-11-06 17:28:19 +00:00
d50ea86665
Cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6046 c92efa57-630b-4861-b058-cf58834340f0
2009-10-19 19:49:13 +00:00
35bab01c24
add configure script that run the real configure in dir install. Paths
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for dependencies coherent with new position in install dir.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5922 c92efa57-630b-4861-b058-cf58834340f0
2009-09-11 13:28:47 +00:00
giannozz