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Author SHA1 Message Date
Paolo Giannozzi f161ba0860 configure script fixed 
make.depend added to .gitignore (not sure how correctly, though)
 2021-10-25 06:51:04 +02:00
Paolo Giannozzi 172b636fae make.depend files are now re-generated by the configure scripts 
Alternatively, they can be re-generated with "make depend"
 2021-10-24 21:51:42 +02:00
Paolo Giannozzi dcce015bc5 Obsolete mesage 2021-07-02 13:59:06 +02:00
Paolo Giannozzi 512b8f89b8 Version in configure update; documentation updated to reflect the absence 
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 
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 
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 
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 
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 
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. 
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 
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). 
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). 
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. 
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. 
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. 
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. 
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 
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 
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: 
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 
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 " " 
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 
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 
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 
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. 
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 
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 
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 
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 
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). 
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 
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, 
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: 
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) 
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 
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 
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 
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 
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 
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 
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.. 
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 
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. 
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 
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) 
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 
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 
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 
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 
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