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56 Commits

Author SHA1 Message Date
Hongyi Zhao 5d7fc95903 Keep tracking the archive folder for storing temporary downloaded files needed by install_utils and specific plugins. 
See https://gitlab.com/QEF/q-e/-/issues/467
 2022-02-24 14:39:45 +08:00
Paolo Giannozzi 65fc312b3b Compilation with make for MBD simplified 
Not sure what to do with the scalapack make (we do not use it)
 2022-02-04 17:30:29 +01:00
Ye Luo 2b10963cd6 Revert "Revert "Merge branch 'configure-submodule' into 'develop'"" 
This reverts commit 7246b5894d.
 2022-02-02 00:35:39 -06:00
Ye Luo 7246b5894d Revert "Merge branch 'configure-submodule' into 'develop'" 
This reverts merge request !1725
 2022-02-02 06:25:00 +00:00
Ye Luo 6bc2e48f04 Remove no more needed archives. 2022-01-17 23:54:04 -06:00
Paolo Giannozzi c7fbd7ecbc BEEF merged into QE, courtesy Johannes Voss 2021-01-06 16:06:22 +01:00
Paolo Giannozzi 111bdb764b Nvidia + libbeef trouble 
There is a workaround for PGI in libbeef that seems to be obsolete and that
causes the new nvidia, formerly pgi, C compiler to crash.
 2020-12-06 11:45:51 +00:00
Paolo Giannozzi 34cf121bdd More removal of obsolete stuff from archive 2020-12-03 12:00:10 +00:00
Hsin-Yu Ko a06ff36980 add missing version fallback file 2020-11-21 10:51:13 -05:00
Hsin-Yu Ko c1062a44d0 update note 2020-11-21 10:32:44 -05:00
Hsin-Yu Ko f35208dc6a revised non-cmake approach 2020-11-21 10:28:07 -05:00
Hsin-Yu Ko 8e76347abb new support of libmbd to the gnumake system 2020-11-20 10:41:30 -05:00
Hsin-Yu Ko 7a8c3969c9 more proper installation mechanism 2020-11-16 12:37:34 -05:00
giannozz ee2c3c4dfd More cleanup of the installation mechanism: iotk can be deleted for good. 
It was used only by Yambo and WanT but they have their own installation
 2020-10-24 15:55:22 +00:00
Ye Luo 9cf9edfed2 Typo correction. 2020-10-02 08:08:14 -05:00
giannozz 82b75cc809 README made worth reading 2020-10-01 18:11:41 +02:00
Sasha Fonari d8880e51b0 Added docs to the libbeef Makefile 2020-04-14 14:04:13 -04:00
Sasha Fonari cef47e1bb2 Update libbeef Makefile to match *pgcc compiler 2020-04-14 13:40:40 -04:00
Sasha Fonari b3fe605615 Update libbeef Makefile 2020-04-14 13:25:59 -04:00
Sasha Fonari 98614299cc Fix fortran error 2020-04-14 12:24:57 -04:00
Sasha Fonari dd04c7fb7e Build internal libbeef 2020-04-14 11:19:43 -04:00
Pietro Delugas 250de3a856 added ppc64le to guessed builds for fox config 2018-07-19 09:18:16 +02:00
Pietro Delugas ffe8b94418 fox lib modified to avoid a recent gfortran bug 2018-04-26 18:00:44 +02:00
Pietro Delugas 120a15a08d Fox init 2018-02-26 14:11:13 +00:00
giannozz 0da10183fe Patch by Jason Wood allowing FoX config.guess to recognize ARM 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13956 c92efa57-630b-4861-b058-cf58834340f0
 2017-10-25 16:17:36 +00:00
pietrodelugas 12bd2b2f82 in the previous commit I inserted by mistake the whole archive, here again the minimal small size version. Sorry 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13934 c92efa57-630b-4861-b058-cf58834340f0
 2017-10-18 18:21:29 +00:00
pietrodelugas d4230bea09 update fox library hopefully fixing issues with ifort 12 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13933 c92efa57-630b-4861-b058-cf58834340f0
 2017-10-18 15:43:00 +00:00
pietrodelugas 375f59988c hopefully fixed problem of the pgi compilers with the fox library 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13686 c92efa57-630b-4861-b058-cf58834340f0
 2017-08-04 12:05:09 +00:00
pietrodelugas 2d1e77948a adding the FoX library to the archive and adding its compilation as external library 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13643 c92efa57-630b-4861-b058-cf58834340f0
 2017-07-28 20:01:07 +00:00
giannozz 045178004e File iotk/include/iotk_auxmacros.h made rw-r--r-- 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13302 c92efa57-630b-4861-b058-cf58834340f0
 2017-02-11 08:27:51 +00:00
spigafi 08cb39e8b8 ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added 
"--with-elpa-include" and "--with-elpa-lib" to the configure, need to use 
"-L<path> -l<lib>" and "-I<path>" for now.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13041 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-29 22:13:41 +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 21a0e267b4 Updated Netlib versions (BLAS to 3.6.0, LAPACK to 3.6.1). 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12929 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-08 20:52:28 +00:00
giannozz 3249871379 make.sys updated to make.inc in ELPA as well 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12578 c92efa57-630b-4861-b058-cf58834340f0
 2016-07-08 16:22:14 +00:00
giannozz e272c36f3f make.sys => make.inc 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12541 c92efa57-630b-4861-b058-cf58834340f0
 2016-06-25 07:44:21 +00:00
marsamos a114d8b174 qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz. 
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
giannozz 63d9be9b5b Obsolete preprocessing tag __PARA replaced by __MPI 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11357 c92efa57-630b-4861-b058-cf58834340f0
 2015-02-03 13:33:09 +00:00
giannozz c772a30bdb Remove tabulators from iotk 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10527 c92efa57-630b-4861-b058-cf58834340f0
 2013-10-10 14:44:18 +00:00
spigafi 5cca6b6f6a Internal changes: combining phiGEMM profiling capabilities and ELPA it is possible to profile internal GEMM calls. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9743 c92efa57-630b-4861-b058-cf58834340f0
 2013-01-02 10:07:47 +00:00
spigafi ef49e2a4ed ELPA now compiles on CRAY using GNU. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9695 c92efa57-630b-4861-b058-cf58834340f0
 2012-12-11 14:41:01 +00:00
marsamos 80f29cdd85 new plumed version added 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9640 c92efa57-630b-4861-b058-cf58834340f0
 2012-11-21 14:48:16 +00:00
spigafi 0faf131fe7 Regenerated package... 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9566 c92efa57-630b-4861-b058-cf58834340f0
 2012-10-23 20:17:28 +00:00
spigafi fb8e2c8d84 ELPA v0.2: temporary disabled OpenMP extensions since they were producing crashes on Linux machines, added COPYING/License informations, improved configure (if --without-elpa then the library is not compiled at all). 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9564 c92efa57-630b-4861-b058-cf58834340f0
 2012-10-23 11:30:37 +00:00
spigafi b2b24dd848 ELPA library is completely detached from the main code, compiled as external library provided under ./archive/ 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9559 c92efa57-630b-4861-b058-cf58834340f0
 2012-10-20 14:56:34 +00:00
marsamos 44ec45bf04 extlibs deleted moved to archive and main install 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8377 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-03 11:33:44 +00:00
marsamos fb7b8b322f plugins latest for yambo and w90 and want deleted from archive. Now download from web sites. Updated yambo version 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8376 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-03 10:42:35 +00:00
marsamos 57987ccba3 now plumed output with cp uses same units as pw a.u for distances 
Ry for energies


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7600 c92efa57-630b-4861-b058-cf58834340f0
 2011-03-23 16:12:21 +00:00
marsamos 7809965f87 change outdir with tmp_dir in plugin_initialization for plumed plugin 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7571 c92efa57-630b-4861-b058-cf58834340f0
 2011-03-11 15:08:19 +00:00
marsamos 9790ef3df4 PLUMED synchro with cvs CP 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7565 c92efa57-630b-4861-b058-cf58834340f0
 2011-03-10 17:13:32 +00:00
marsamos b3174e2822 missing mp_bcast in patch to plugin_forces for PW 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7400 c92efa57-630b-4861-b058-cf58834340f0
 2011-01-12 11:16:41 +00:00