Paolo Giannozzi
512b8f89b8
Version in configure update; documentation updated to reflect the absence
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of the CUDA enabled version, even if configure is ready for it
2018-06-29 15:22:35 +02:00
giannozz
f7647d7795
The "configure" script is supposed to do a "make clean" except with -s option
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but the clean had been commented out in a previous erroneous commit
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13664 c92efa57-630b-4861-b058-cf58834340f0
2017-07-31 16:49:52 +00:00
giannozz
c46e23355d
Added option that prevents configure to clean everything
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13558 c92efa57-630b-4861-b058-cf58834340f0
2017-06-09 14:17:50 +00:00
giannozz
02ce4df8d6
make.sys => make.inc. All other codes using make.sys should modify their build
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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
3e9b29fbb1
Added make distclean: revert distribution to the original status
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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
1317775800
bash instead of sh
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11945 c92efa57-630b-4861-b058-cf58834340f0
2016-01-06 13:39:32 +00:00
spigafi
8f764a5a8a
If someone simply asks for help no need to erase what has been done before.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11943 c92efa57-630b-4861-b058-cf58834340f0
2016-01-05 23:39:29 +00:00
spigafi
ffd70a1f80
Added safeguard
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11936 c92efa57-630b-4861-b058-cf58834340f0
2016-01-05 17:21:42 +00:00
spigafi
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
spigafi
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
spigafi
4beb05ef9b
The correct working version is r6851, not r6815. My bad.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9198 c92efa57-630b-4861-b058-cf58834340f0
2012-07-19 13:10:58 +00:00
spigafi
d9f5b35b96
Restored previous configure script. The one for the GPU implementation is located in the GPU directory.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9188 c92efa57-630b-4861-b058-cf58834340f0
2012-07-18 12:02:09 +00:00
spigafi
c28f85cbd3
Few changes allow to run the correct configure stored in the proper place (like install). If the directory GPU is present, Quantum ESPRESSO (all the suite) is compiled supporting NVIDIA CUDA acceleration. GPU represents a separate project/reposiroty (almost) always aligned with the latest version of the suite.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9095 c92efa57-630b-4861-b058-cf58834340f0
2012-06-17 13:55:58 +00:00
giannozz
54a7767a9c
configure wrapper doesn't choke any longer on variables containing spaces.
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Courtesy of Norbert Nemec
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6851 c92efa57-630b-4861-b058-cf58834340f0
2010-06-18 17:24:05 +00:00
giannozz
c680c542e6
"Experimental" and nonfunctional configure slipped into one of past commits
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6842 c92efa57-630b-4861-b058-cf58834340f0
2010-06-14 17:45:49 +00:00
giannozz
7a187311db
diropn moved from PW/ into module io_files (where it belongs). davcio also
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moved into file Modules/io_files.f90 but not inside module io_files. A better
place is in flib/ in my opinion. Removed dependency of CP upon PW. Lots of
changes but ne substantial or dangerous change.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6835 c92efa57-630b-4861-b058-cf58834340f0
2010-06-13 11:29:12 +00:00
obm
4666a4efea
Some minor changes to configure environment:
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1)New wrapper for configure script now also outputs the help of install/configure when called with --help
2)A quick and dirty trick to make configure recognise MKL 10.x series in ia32 and x86_64 machines. Although
I have tested this on every machine I have my hands upon, would you be kind enough to check this more
throughly? Please note that some features of MKL 10 is not supported in MACOSX.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6104 c92efa57-630b-4861-b058-cf58834340f0
2009-11-04 14:58:01 +00:00
giannozz
de9ad71ea7
CFLAGS is a source of trouble: arguments passed directly to configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5976 c92efa57-630b-4861-b058-cf58834340f0
2009-09-28 12:36:54 +00:00
ccavazzoni
0593e8b653
- passed arguments should be protected with double quote " "
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5952 c92efa57-630b-4861-b058-cf58834340f0
2009-09-18 15:28:13 +00:00
marsamos
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
marsamos
b1f03b09e8
all files related to config, dependencies, installation
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have been moved to dir install. Dependencies commands
not working proper;y now.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5921 c92efa57-630b-4861-b058-cf58834340f0
2009-09-11 13:23:01 +00:00
giannozz
9b71e171f1
Misspell corrected
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5855 c92efa57-630b-4861-b058-cf58834340f0
2009-08-21 15:44:02 +00:00
ccavazzoni
a146789805
- better support for SCALAPACK library.
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Now to build QE with SCALAPACK on SP6 you can simply configure it like that:
module load blacs scalapack
./configure --with-scalapack
In general confugure now looks for environment variable SCALAPACK_LIB and BLACS_LIB
which are the standard on many systems
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5852 c92efa57-630b-4861-b058-cf58834340f0
2009-08-20 13:24:31 +00:00
marsamos
d0f7843250
Forgot to change configure after a test on iflag
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5842 c92efa57-630b-4861-b058-cf58834340f0
2009-08-08 08:44:18 +00:00
marsamos
ac1a8ef75c
same as for configure.ac
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5840 c92efa57-630b-4861-b058-cf58834340f0
2009-08-07 13:36:52 +00:00
giannozz
54d31284f8
Removed SHMEM, Makefiloes and make.depend updated; lenght => length ; misc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5814 c92efa57-630b-4861-b058-cf58834340f0
2009-08-04 14:34:32 +00:00
giannozz
67b47f975b
Better (or less bad) configure support for openmp
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5771 c92efa57-630b-4861-b058-cf58834340f0
2009-07-29 15:05:15 +00:00
giannozz
ead2080eb4
First attempt towards a configure for openmp (--enable-openmp).
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Should work only for ifort + fftw
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5753 c92efa57-630b-4861-b058-cf58834340f0
2009-07-25 14:59:51 +00:00
giannozz
bf3af6870f
Removed ARFLAGS_DYNAMICS - I don't think there is anybody still using
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PowerPC Macs with a buggy version of xlf requiring this workaround.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5739 c92efa57-630b-4861-b058-cf58834340f0
2009-07-23 08:23:39 +00:00
giannozz
107a5d34aa
Some configure tweaking: added options --enable-scalapack, --disable-wrappers,
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better message from --help
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5447 c92efa57-630b-4861-b058-cf58834340f0
2009-02-25 16:45:57 +00:00
giannozz
567bc16387
Better treatment of the case of mismatching serial/parallel compiler:
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parallel one prevails
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5356 c92efa57-630b-4861-b058-cf58834340f0
2009-01-26 21:12:41 +00:00
giannozz
3fe30d0ec3
Lapck testing uses dspev instead of zggev (the latter is not part of essl)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5277 c92efa57-630b-4861-b058-cf58834340f0
2008-11-11 09:50:08 +00:00
giannozz
682e063081
Minor changes for Sun Sparcs
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5263 c92efa57-630b-4861-b058-cf58834340f0
2008-11-04 11:04:30 +00:00
giannozz
f22f6889c2
Bug in configure for some IBM SP machines
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5254 c92efa57-630b-4861-b058-cf58834340f0
2008-10-30 15:31:30 +00:00
giannozz
d1221754a4
configure slightly simplified and better explained
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5253 c92efa57-630b-4861-b058-cf58834340f0
2008-10-30 08:04:41 +00:00
giannozz
0526f6ac21
More configure tweakings, preventing env. variable F77 to make trouble
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5247 c92efa57-630b-4861-b058-cf58834340f0
2008-10-27 11:04:24 +00:00
giannozz
c1d4096628
Detection of ffts in acml now really seems to work
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5246 c92efa57-630b-4861-b058-cf58834340f0
2008-10-27 10:12:08 +00:00
giannozz
77f1aa4b1f
More configure tweakings, removal of obsolete stuff. Blas, Lapack, fft from
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ACML should be recognized when using PGI and pathscale, intel not yet.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5245 c92efa57-630b-4861-b058-cf58834340f0
2008-10-27 09:41:01 +00:00
giannozz
4e8eb847ac
Ooops..
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5240 c92efa57-630b-4861-b058-cf58834340f0
2008-10-24 14:24:22 +00:00
giannozz
8d339650a3
Minor changes to installation and its documentation
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5239 c92efa57-630b-4861-b058-cf58834340f0
2008-10-24 12:41:05 +00:00
giannozz
0b8cbf3b75
Configure modified so that it recognizes FFTW3 and FFT libraries from ACML.
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Mostly untested. Support for external fftw v.2 removed.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5228 c92efa57-630b-4861-b058-cf58834340f0
2008-10-18 14:40:51 +00:00
giannozz
aba425bd18
Minor changes for Pathscale compiler
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5076 c92efa57-630b-4861-b058-cf58834340f0
2008-07-27 18:01:53 +00:00
giannozz
c80bd090af
configure updated with small changes for NEC (courtesy of Nathalie Vast)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4833 c92efa57-630b-4861-b058-cf58834340f0
2008-04-23 20:35:07 +00:00
giannozz
ff3a40269f
Added warning for serial/parallel compiler mismatch. Not that anybody
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will notice, even less understand, but at least we have tried.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4749 c92efa57-630b-4861-b058-cf58834340f0
2008-03-19 11:58:19 +00:00
giannozz
b7e3c74521
Better conceived (or at least, more studied) approach to the latest
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ifort+mkl v.10 weirdness: -lmkl_lapack is no longer required
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4674 c92efa57-630b-4861-b058-cf58834340f0
2008-02-04 10:02:31 +00:00
giannozz
15fa2e07fb
Attempt to fix linking for recent MKL - will not work in all cases, though
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4666 c92efa57-630b-4861-b058-cf58834340f0
2008-01-30 21:03:37 +00:00
giannozz
bea61e7dc2
Support for Solaris PC with Sun compiler added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4631 c92efa57-630b-4861-b058-cf58834340f0
2008-01-16 15:23:43 +00:00
giannozz
89763f735c
FFT drivers for COMPLIB and CXML removed as well
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4594 c92efa57-630b-4861-b058-cf58834340f0
2008-01-03 10:56:26 +00:00
giannozz
f0cd38a152
Static linkng option for g95 as well
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4522 c92efa57-630b-4861-b058-cf58834340f0
2007-12-12 10:59:29 +00:00
giannozz
f0e14c73dd
TODO updated, static option added for gfortran
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4521 c92efa57-630b-4861-b058-cf58834340f0
2007-12-12 09:53:06 +00:00