giannozz
159176fedb
Merge branch 'misc_stuff' into 'develop'
...
Issue 165 plus minor stuff
Closes #165
See merge request QEF/q-e!868
2020-04-08 20:20:45 +00:00
giannozz
f58b89c061
Merge branch 'develop' into 'develop'
...
Added libbeef autoconf .m4 file.
See merge request QEF/q-e!869
2020-04-08 20:19:29 +00:00
gusmaogabriels
22d799ede3
Added beef autoconf .m4 file.
2020-04-08 10:51:18 -04:00
Paolo Giannozzi
a2a6238373
Configure updated to reflect the latest changes
2020-04-08 16:20:50 +02:00
giannozz
c6ab46928c
Merge branch 'develop' into 'develop'
...
BEEF-vdW XC compilation links + Encoded IPI driver calculation flags + Energy Ensemble links.
See merge request QEF/q-e!831
2020-04-07 19:38:55 +00:00
giannozz
056cc4502a
Merge branch 'fix_blas_pgi' into 'develop'
...
Select appropriate openmp implementation for MKL when building with PGI. This...
See merge request QEF/q-e!862
2020-04-06 07:14:39 +00:00
Pietro Bonfa
17e71640f5
Select appropriate openmp implementation for MKL when building with PGI. This depends on the version
2020-04-05 17:19:07 +02:00
Pietro Bonfa
abb69789d3
Merge commit '21fe3406' into gpu-develop
2020-04-05 12:51:33 +02:00
Pietro Bonfa
e2605dae3a
Merge commit 'c05a4a90e1551c27bcb12ad8d3edd82ac1cad659' into gpu-develop
2020-04-05 12:23:39 +02:00
Pietro Bonfa
38f8b24a47
Merge commit '871f1d7f' into gpu-develop
2020-04-05 12:06:04 +02:00
Pietro Bonfa
a884abc43f
Merge commit '4baa5f0f' into gpu-develop
2020-04-05 11:27:30 +02:00
Paolo Giannozzi
b7fa760652
Dependency script updated
...
(not sure what "omp_lib" module is but it is nowhere to be found in QE)
2020-03-31 18:00:53 +02:00
gusmaogabriels
40f19613ab
Added ensemble support to run_driver.f90 and BEEF-vdW native links.
2020-03-18 12:52:00 -04:00
Paolo Giannozzi
617f964bc7
Script for dependencies and make.depend updated
2020-03-12 14:14:13 +00:00
Paolo Giannozzi
c176f1d8dd
Fixes for compilation with OpenMP
2020-03-03 10:45:48 +00:00
Paolo Giannozzi
3e59d856a5
configure updated
2020-02-29 09:32:10 +01:00
Paolo Giannozzi
f048394930
Merge branch 'develop' of gitlab.com:giannozz/q-e into ph_and_conf_fix
2020-02-29 09:30:48 +01:00
giannozz
20c9141a10
Merge branch 'fix-qe-configure-m4_elpa' into 'develop'
...
accept ELPA>2016 by configure
See merge request QEF/q-e!808
2020-02-29 08:02:07 +00:00
giannozz
0db1ca8624
Workarounds and fixes for yesterday's commits
2020-02-29 08:59:35 +01:00
Thomas Zeiser
708a6763ad
accept ELPA>2016 by configure
...
Mimic the behavior of version 2015 and 2016 also for 2017-2019.
install/configure has to be updated, too. But that can easily be
done by running 'autoconf' and is therefore not included in the
commit.
To be able to actually use ELPA version > 2016, the fix described
in iissue #144 is required in addition.
2020-02-28 19:31:56 +01:00
Thomas Zeiser
dd5787b49a
fix detection of FFTW3 include file by configure
...
- If FFT_LIBS is set, it may nevertheless be necessary to use a
special include path; thus, check FFT_INCLUDE and FFTW_INCLUDE.
If they are set, add them to IFLAGS.
- If FFTW3 has to be autodetected, fix the test for fftw3.f03:
+ just 'include "fftw3.f03"' is not a valid Fortran program
=> 'use iso_c_binding // end' are missing
+ moreover, the file is in free form
=> '-ffree-form' as required as compile argument
+ the original 'for inc in $try_incdir' did not have any effect
as the loop body did not make any use of $inc
=> only FFLAGS will be evaluated by AC_COMPILE_IFELSE
install/configure has to be updated, too. But that can easily be
done by running 'autoconf' and is therefore not included in the
commit.
2020-02-28 19:01:54 +01:00
giannozz
ae33473560
More cleanup, documentation updated
2020-02-28 10:53:11 +01:00
giannozz
871f1d7f67
More configure simplfication
2020-02-27 17:59:04 +01:00
giannozz
2d4b020298
More cleanup of autoconf
2020-02-27 16:11:37 +01:00
giannozz
38f9231628
More cleanup of obsolete cases; no search for lapack if mkl is available
2020-02-27 14:42:27 +01:00
giannozz
c13727f54a
Removed useless and undocumented configure option --use-netlib. Now:
...
- if BLAS_LIBS and/or LAPACK_LIBS are present, configure use them with no check
- otherwise, configure searches suitable blas and lapack;
If nothing is found, configure selects internal blas and/or lapack
2020-02-27 11:01:20 +01:00
giannozz
7020ecf7fc
Removal of obsolete stuff
2020-02-26 22:05:54 +01:00
giannozz
717fba1eb2
Replace old gfortran option with newer one
2020-02-26 15:51:24 +01:00
Paolo Giannozzi
edcc8b976f
Script for dependencies updated (removes references to GPU modules)
2020-02-24 16:37:12 +00:00
Pietro Bonfa
05cc3dac4d
Merge branch 'develop' into gpu-develop (first step)
2020-02-23 20:47:07 +01:00
Paolo Giannozzi
11b710fc12
Rename c_defs.h (used only in memstat.c) to qe_cdefs.h to prevent conflicts
...
with other c_defs.h. Should fix issue #161 (and break cmake!)
2020-02-18 11:39:11 +01:00
Stefano de Gironcoli
88c1164d06
changes needed to update KS_Solver
...
-splitting rotate_wfc_* and adding rotate_Hpsi_* into a DENSE diagonalization dir
-removing cg_param, david_param, ... in favour of util_param
-implementation of ParO
-update of PW, UtilXlib, FFTXlib and install needed for compatibility
2020-02-17 12:19:53 +01:00
Pietro Bonfa
ed83176255
Merge branch 'develop' into gpu-develop
2020-02-07 19:53:18 +01:00
Pietro
9373181df4
Adding GPU subroutines to LAXlib
2020-02-05 15:57:05 +00:00
Michael Hutcheon
aac693cc5f
Added workaround for compiling FoX on systems that do not support cp -p.
2020-02-03 16:39:20 +00:00
Pietro Bonfa
4725c3f548
Merge branch 'develop' into gpu-develop
2020-02-02 15:02:57 +01:00
Carlo Cavazzoni
2af0e629ab
Revert "Merge branch 'revert-c25e9f31' into 'develop'"
...
This reverts merge request !775
2020-02-01 09:14:20 +00:00
Carlo Cavazzoni
a91d32bc5f
Revert "Merge branch 'develop' of gitlab.com:QEF/q-e into develop"
...
This reverts commit c25e9f3126
2020-02-01 08:58:44 +00:00
Pietro Delugas
a7df32754a
armpl detection for blas lapack and fft also for gfortran
2020-01-27 15:15:53 +01:00
Pietro Delugas
b815a4e90c
completing and fixing case arm+armflag+armpl
...
still to do case arm:gfortran+armpl
2020-01-27 10:58:11 +01:00
Pietro Delugas
4668ec6165
recognition of armflang+armpl case for blas and lapack
...
still to do for fftw
2020-01-27 10:58:11 +01:00
Pietro Delugas
3bd7bae5ba
autoconf for aarch64
...
* added aarch64 as an arm architecture ( is it right ?)
* detection of armflang compiler when wrapped in mpif90
yet to do:
* recognition of armpl library
* export of __PGI to FOX_FLAGS
2020-01-27 10:58:11 +01:00
Carlo Cavazzoni
dd7b5abe0f
PGI bash shell script to build fox library with PGI compiler in Windows10. FoX internal configure script badly fails.
2020-01-26 01:39:44 +01:00
giannozz
e8f6a2baf9
Debug flag for PGI compiler as well -Z may or may not work.
2020-01-22 13:57:28 +01:00
Pietro Bonfa
8505b20cee
Merge branch 'develop' into gpu-develop
2020-01-06 12:59:07 +01:00
Pietro Delugas
5fb1195b08
adding options for linking and include hdf5 lib
...
options --with-hdf5-lib and --with-hdf5-include for configure
allow to specify linker and include paths when the authomatic detection
fails.
Changes to be committed:
modified: install/configure
modified: install/m4/x_ac_qe_hdf5.m4
2019-12-18 15:58:27 +01:00
Pietro Bonfa
3f8d6ce3de
Merge branch 'develop' into gpu-develop
2019-11-04 18:57:28 +01:00
Paolo Giannozzi
01d62a61ab
Script computing dependencies updated to deal with libxc module
2019-11-02 10:54:26 +01:00
Pietro Bonfa
538691f5af
Merge branch 'develop' into gpu-develop
2019-10-29 19:14:29 +01:00
Pietro Delugas
16c6c2e2f3
updating configure for HDF5 usage
...
* HDF5_LIB variable in make.inc.in renamed HDF5_LIBS ( see issue #149 )
* simplified syntax for HDF5 version number check in configure
Changes to be committed:
modified: install/configure
modified: install/m4/x_ac_qe_hdf5.m4
modified: install/make.inc.in
2019-10-24 11:19:27 +02:00
fabrizio22
7b4f8ff604
Some warning messages for libxc functionals
2019-10-17 10:13:30 +02:00
giannozz
16804bed49
DFTI is always selected if MKL are available, also with OpenMP.
...
Configure simplified: here is no need to check for DFTI if MKL is available.
2019-10-04 15:05:10 +02:00
Pietro Bonfa
c1cbe1be1d
Aligned gpu-develop with develop
2019-10-02 21:08:11 +02:00
Pietro Bonfa
71b9709f5c
From PGI 19.1, mkl_intel_thread should be linked instead of mkl_pgi_thread
2019-09-04 17:49:51 +02:00
Pietro Bonfa
8928ae5f46
nvcc is now an optional dependency
2019-09-01 15:53:35 +02:00
Paolo Giannozzi
8e7fd37fe0
Configure for PPC64 machines with Linux and new xlf compiler should not set
...
-D__XLF unless xlf is actually used
2019-08-23 21:01:15 +02:00
giannozz
009e67c5ca
xlf porting
...
Misc changes to make QE run with ppc64 machines, linux and xlf:
call flush(*) replaced by standard (?) command flush(*)
getpid #define-d as integer for xlf
configure (partially) updated, sets -d__XLF
2019-08-22 15:42:49 +02:00
Pietro Bonfa
524b5f0867
Cuda detection was placed in the wrong position. Also added test-suite execution when Galileo@CINECA nodes are available.
2019-08-22 12:14:50 +02:00
Paolo Giannozzi
95681ee19e
Misc fixes:
...
- some compilers don't like to pass pointers that are neither set nor explicitly nullified
- configure updated to reflect the latest changes
2019-08-03 08:37:46 +02:00
Ye Luo
4fab5fba59
Add pgi support for non-X86 systems.
2019-07-25 13:24:56 -04:00
Pietro Delugas
ef3579c992
fixing configure for hdf5
2019-07-16 08:28:34 +00:00
Pietro
d2631d096f
Remove any definition of the macro 'vector' to circumvent bug in some preprocessors.
2019-06-13 17:22:10 +00:00
Nikolas Garofil
0b0d934815
fix fetching Wannier90
2019-05-06 17:56:21 +02:00
Pietro Bonfa
388cb3787a
Updated GPU eigensolver version.
2019-04-13 14:16:53 +02:00
Lorenzo Paulatto (naquite)
7366076344
Merge branch 'develop' of gitlab.com:QEF/q-e into requests
2019-04-09 13:48:20 +02:00
Lorenzo Paulatto (naquite)
e761cc1923
Little fix
2019-04-09 13:47:38 +02:00
Paolo Giannozzi
8a5c075633
[Skip-CI] Cleanup of script finding module dependencies
2019-04-05 12:00:04 +02:00
Pietro Delugas
4d12deefef
adapt conf-scripts for hdf5 linked with zlib
...
previous script was adding zlib path HDF5_LIBS with a wrong syntax
2019-04-05 09:56:34 +02:00
Davide Ceresoli
304e9ade78
Updated gipaw plugin URL forever, and fixed C-warning in qmmm_aux.c
2019-03-30 10:25:04 +01:00
Paolo Giannozzi
08719c93f0
configure configured
2019-02-28 17:17:32 +01:00
Valerio Vitale
1d45f97092
Changes to plugins_list and plugins_makefile and pw2wannier90.F90 to reflect the latest changes in Wannier90 and to point to the correct link of the new release.
2019-02-27 14:47:26 +00:00
Davide Ceresoli
d79c8c49f0
updated qe-gipaw path
2019-02-22 13:35:48 +01:00
Davide Ceresoli
d84cd35e47
1) Added ./configure options to compile and link with libxc:
...
--with-libxc (yes|no) Use libXC for some XC functionals (default:
no)
--with-libxc-prefix=DIR Directory where libxc was installed.
--with-libxc-include=DIR
Directory where libxc Fortran headers were
installed.
2) If you set input_dft='functional+META', (i.e. 'pbe+meta'), you can now
perform a nscf/bands calculation using a potential-only MGGA functional
(such as TB09).
2019-02-12 10:10:11 +01:00
Pietro Bonfa
de38f521be
Updated GPU Eigensolver Makefile
2019-02-11 11:41:41 +01:00
Paolo Giannozzi
5a7e661fba
makedepend.sh scrit updated to remove references to module cudafor
2019-01-13 22:02:34 +01:00
Pietro Delugas
526ab6181e
Hdf5 config
2018-12-11 09:11:52 +00:00
Paolo Giannozzi
d87b145b4b
[skip-CI] Minor changes to configure and documentation, suggested by Nichols Romero
2018-12-10 10:29:05 +01:00
Paolo Giannozzi
78c5ef7ad9
[skip-CI] Minor updates
2018-11-28 20:04:39 +01:00
Paolo Giannozzi
701c7eaf6f
More configure cleanup: removal of mysterious MKL_FLAG="-static-intel" option
...
that has no effect on MKL (it's a linker option); removal of MKL_FLAG from the
test for DFTI (was hindering detection); removal of unused or commented out
stuff.
2018-11-22 14:17:07 +01:00
Paolo Giannozzi
e8b1eca456
[skip-CI] configure simplified: no need to separately test serial and parallel
...
compiler. There is still a problem with detection of DFTI, though.
2018-11-22 11:19:14 +01:00
Paolo Giannozzi
cbad87c52e
[skip-CI] configure wasn't working as expected in the serial case: gfortran
...
was invariably chosen, due to some obscure interaction with x_ac_qe_cuda.
Unsetting some obscure variables seems to work.
2018-11-21 19:01:22 +01:00
Paolo Giannozzi
3b4bbde193
Minor updates to build mechanism, mostly for MKL on Mac: is there anybody
...
with a Mac and MKL available for testing?
2018-10-23 13:28:14 +02:00
Paolo Giannozzi
c290deba93
Detection of MKL libraries modified upon suggestion by Nichols Romero:
...
use MKLROOT instead of trying to guess all possible paths. In case MKLROOT
is not set, use MKLROOT=/opt/intel/mkl. Support for very old MKL removed.
User guide updated.
2018-10-20 11:18:14 +02:00
Samuel Ponce
8776b9faf8
Update the EPW make.depend
2018-10-17 11:38:40 +01:00
Samuel Ponce
dd817a575a
Cleaning and optimization in EPW
...
1) Complete re-writing of the IBTE (at least an order of magnitude faster).
2) Supporting both k-point symmetry and no-symmetry
3) Creating of a few new modules
4) Addition of a epw_mob_ibte_sym for testing the IBTE using k-point symmetry.
Both epw_mob_ibte_sym and epw_mob_ibte should give the same result but
epw_mob_ibte_sym is much faster.
2018-10-16 17:06:08 +01:00
Paolo Giannozzi
9355e671e3
More makefile glitches
2018-10-02 17:33:50 +02:00
Pietro Delugas
4fa547e5ec
update configure script management of hdf5 library
2018-09-18 13:23:51 +00:00
Paolo Giannozzi
4277567973
Obsolete configure option removed
2018-09-07 17:14:10 +02:00
Iurii Timrov
0bc76d8100
Implementation of the new code hp.x to compute Hubbard U from DFPT.
...
Iurii Timrov, Nicola Marzari, and Matteo Cococcioni,
Phys. Rev. B 98, 085127 (2018); arXiv:1805.01805
2018-08-29 14:54:42 +02:00
Stefano de Gironcoli
82fc9fa868
adding PPCG to KS_Solvers directory. makedeps script updated
2018-08-03 04:15:56 +02:00
Pietro
dc58e7e5ae
Fix configure problems with PGI+OpenMP+MKL
2018-07-17 09:51:58 +00:00
Paolo Giannozzi
7f32483fff
IN all Makefiles, LIBS replaced by QELIBS, to prevent unlikely but not
...
impossible clashes with LIBS as defined by the OS or as used by the configure's
of external libraries (e.g. FoX, for which one such problem has been reported)
2018-07-11 19:58:41 +02:00
Martin Schlipf
647f310f8e
fix make clean for SternheimerGW
2018-07-03 10:00:21 +01:00
Pietro Delugas
8f0669bc67
F90 flags passed to fox config in a cleaner way
...
exporting all QE F90 compilers flags may not work in many situations:
now a FOX_FLAGS is defined in make.inc, this is passed to FoX configure.
The content of this flag is set during configuration.
The configure script exports a @foxflags@ variable
which may be filled as needed. To program the possible content of the variable
one has to edit the m4/x_ac_qe_f90.m4 script.
As for now the only case when it is needed, is with the PGFORTRAN compiler,
when the -Mlarge_arrays is set, in this for the FoX library to be
compatible it is necessary to compile also FoX with the same flag.
2018-07-01 08:50:55 +02:00
paoloumari
3df0c87e8c
Merge branch 'develop' of https://gitlab.com/QEF/q-e into develop
2018-06-30 10:41:46 +02:00
paoloumari
77881a0e05
Added support for new GWW/simple GWW/simple_bse GWW/simple_ip
2018-06-30 10:13:19 +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
Pietro Delugas
d738a3d45e
Merge branch 'bonfus/q-e-configcuda' into develop
2018-06-29 13:54:58 +02:00
Pietro Bonfa
a809a9e893
Don't fail when cleaning twice
2018-06-28 11:53:49 +02:00
Davide Ceresoli
b209e0e94e
Updating plugin for v6.3
2018-06-18 11:38:49 +02:00
Paolo Giannozzi
60f7557a8a
Debug flags for gfortran include check, sort of, for uninitialized variables
2018-06-15 14:14:58 +02:00
Martin Schlipf
ae55178750
update SternheimerGW version number
2018-06-08 10:23:56 +01:00
Paolo Giannozzi
5343ce7c72
Misc changes in install utilities for compilation on Windows:
...
- remove -pthread option in gfortran for non-threaded executables
- avoid double "//" in Makefile
- remove symbolic link iotk every time
2018-05-27 17:26:59 +02:00
Pietro Bonfa
8457380d92
Aligned changes to touch-dummy removal.
2018-05-22 12:05:46 +02:00
Paolo Giannozzi
042bbe5449
Simplified Makefiles: removed uneeded "touch-dummy" targets.
...
May still need some tweaking and the addition of .PHONY directive in Makefile
2018-05-15 21:50:31 +02:00
Paolo Giannozzi
58705a9216
xdm test merged with other vdw-related tests
2018-05-09 18:31:07 +02:00
Pietro Bonfa
5c47b63d09
Removed -r8 also from cray section of configure
2018-04-18 17:38:40 +02:00
Pietro Bonfa
5f1be4d459
Reverted last two commits. Now install/configure is again in the repository.
2018-04-16 12:07:43 +02:00
Pietro Bonfa
02a81c7b58
Removed install/configure from the repository, added autogeneration of conf script if missing
2018-04-10 09:52:25 +02:00
Pietro Bonfa
466c74bd94
Added large_arrays and removed -r8 to F90 flags for PGI. Modified makefile of GPU Eigensolver accordingly
2018-04-06 10:36:59 +02:00
Pietro Bonfa
b60d563cfa
Patch from Pietro Delugas fixing propagation of FFLAGS for FoX
2018-04-05 09:56:10 +02:00
Paolo Giannozzi
81f69035ae
Minor fixes for pedantic compilation (explicit declarations, character
...
variables not truncated, etc). Added option --enable-pedantic in configure
(only gfortran)
2018-03-26 18:40:16 +02:00
Pietro Bonfa
1ae22bd788
Refreshed configure, added helper functions for CUDA compilation.
2018-03-15 14:13:49 +01:00
Pietro Bonfa
d7ef46d545
Updated building mechanism to allow for multiple CUDA libs
2018-03-15 10:40:29 +01:00
Pietro Bonfa
ca1eca7a49
Fixed compilation. All references to GPU components are now in x_ac_qe_cuda.m4.
2018-03-14 16:23:58 +01:00
Davide Ceresoli
fe1f002d34
URL for gipaw 6.2.2
2018-03-06 17:27:59 +01:00
Paolo Giannozzi
2554304d61
Functionality of makedeps.sh script restored
2018-02-26 15:23:11 +01:00
Paolo Giannozzi
22960e9b37
Quick-and-dirty memory tracker, courtesy Pietro Bonfà, added. Part of it had
...
already been included by mistake in a previous commit. Can be activated using
script "dev-tools/mem_counter" on selected directories (and recompiling);
can be deactivated using "dev-tools/mem_counter -r" (and recompiling).
A small fortran file added into UtliXlib (seemed the most sensible place).
A small change to qes_libs.f90 to avoid compilation problems (line too long).
Small patch by Scott Brozel signaling download failures added.
Essential and very incomplete documentation of what is inside dev-tools added.
2018-02-17 18:53:49 +01:00
Paolo Giannozzi
8dbf4faf0d
Removed the no longer working machinery that saved svn revision information
...
into version.f90. No idea how to adapt it to git.
2018-02-15 09:39:31 +01:00
anoop chandran
322e94c781
corrected a minor mistake
2018-02-06 17:18:00 +01:00
anoop chandran
2e534440b1
changes for power systems
2018-02-06 17:16:43 +01:00
anoop chandran
5edc2b1d19
reactivated template copy for eigensolver-gpu
2018-02-06 15:32:03 +01:00
anoop chandran
40acc4af37
eigenslover-makefile template updated with global make.inc variables
2018-02-06 15:31:07 +01:00
anoop chandran
bce6138b29
error caused by the old version eigensolver_makefile template fixed
2018-02-06 14:52:50 +01:00
anoop chandran
672e7976d4
missed a subdir in basemod_flags
2018-02-06 14:08:25 +01:00
anoop chandran
22c46567e7
added makfile template for gpu-eigensolver
2018-02-06 14:04:10 +01:00
anoop chandran
b0605c7c87
eigensolver_gpu is added to BASEMOD_FLAGS (not included in LD_LIBS)
2018-02-06 13:51:52 +01:00
anoop chandran
39c272019f
Added eigensolver external lib for GPU
2018-02-06 13:50:43 +01:00
Paolo Giannozzi
9cb7537fcb
ELPA cleanup, following a suggestion by Ye Luo, Argonne: define
...
__ELPA_2015 for old interface,__ELPA_2016 for new interface.
__ELPA_2017 is a mix of the two and was removed. Configure updated accordingly.
First attempt to commit into branch "develop"
2018-02-05 17:16:07 +01:00
Pietro Delugas
23faf8edd2
routines in upftools needed a fix after I broke them with the last merge
2018-01-28 19:06:47 +01:00
Pietro Bonfa
457d408ed7
Build serial, run serial. Plus updated AC_PREREQ to 2.64
2018-01-26 17:32:01 +01:00
Pietro Bonfa
ef429220b7
GPU eigensolver should not be there by default
2018-01-26 12:39:04 +01:00
Pietro Bonfa
6ce348c438
Initial draft for cuda detection in autotools
2018-01-25 18:49:45 +01:00
Pietro Bonfa
fb0dc5b032
configure.ac now compatible with autoconf 2.69
2018-01-24 17:12:19 +01:00
Paolo Giannozzi
9af0317f8d
Once again, a problem with modules in Makefiles. In order to simplify things,
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after the proliferarion of modules and libraries, I have collected into a
single variable BASEMOD_FLAGS, defined in make.inc, the list of directories
for modules, to be included by all codes. IMPORTANT NOTICE: re-run "configure",
the new Makefiles work in conjunction with the new make.inc
2018-01-08 22:28:48 +01:00
giannozz
04b364b7cf
FoX must be cleaned as well by a "make clean", or else compilation fails if
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done with a compiler different from the one previously used
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@14012 c92efa57-630b-4861-b058-cf58834340f0
2017-11-26 09:11:55 +00:00
giannozz
efe12bfd15
Spin-polarized SCAN (Hsin-Yu Ho and Marcos Calegari Andrade) for PW
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Check on libxc svn version removed: stable 3.0.1 version works
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@14009 c92efa57-630b-4861-b058-cf58834340f0
2017-11-25 15:32:01 +00:00
giannozz
d68da94095
Added make.inc for Fujitsu FX10: added option -x dir for cvray (prevents
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misinterpretation of Intel !DIR$ directives)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13988 c92efa57-630b-4861-b058-cf58834340f0
2017-11-10 15:12:41 +00:00
paulatto
d36cdf0ed3
Added a RELEASE_VERSION variable to the plugins_list to automatically updated Qe-version dependent packages, as it looks like we all forgot to update this time
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13976 c92efa57-630b-4861-b058-cf58834340f0
2017-10-31 12:00:03 +00:00
pietrodelugas
4202cac866
updated the plugin list with the new url for gipaw
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13962 c92efa57-630b-4861-b058-cf58834340f0
2017-10-27 11:43:24 +00:00
giannozz
2e4add51e1
More "configure" and user guide cleanup: remove support for obsolete machines
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(sparc), OS (solaris), compilers (pathscale plus others that never took off)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13960 c92efa57-630b-4861-b058-cf58834340f0
2017-10-26 16:09:16 +00:00
giannozz
c2567c51e8
Small change to configure by Jason to prevent appearence of uneeded "-lfftw3"
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Also: AIX deleted from configure and user guide, for good
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13959 c92efa57-630b-4861-b058-cf58834340f0
2017-10-26 14:48:57 +00:00
giannozz
bb112e77a8
__OPENMP => _OPENMP (set by all OpenMP-aware compilers)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13951 c92efa57-630b-4861-b058-cf58834340f0
2017-10-25 07:32:10 +00:00
timrov
c5166dbd28
makedeps was not finding dft-d3 modules required by PW/src
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O. Andreussi and I. Timrov
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13922 c92efa57-630b-4861-b058-cf58834340f0
2017-10-16 15:02:12 +00:00
giannozz
a756f96b8e
Machinery for updated version.f90 simplified; references to obsolete D3 code
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removed; packaging script simplified and updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13866 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 11:24:45 +00:00
sponce
4118ebf7cf
Update version number EPW 4.2 to 4.3
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Update package reference for SGW for QE 6.2
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13862 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 09:48:19 +00:00
giannozz
9f829ba6da
Final updates (minor stuff)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13853 c92efa57-630b-4861-b058-cf58834340f0
2017-09-25 07:00:39 +00:00
giannozz
dd6f05a28a
Complete removal of g95 from configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13847 c92efa57-630b-4861-b058-cf58834340f0
2017-09-18 08:46:37 +00:00
pietrodelugas
8844bbd786
inverted lookout for h5df5 compile wrappers; first try prefered parallel installation if failed try serial
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13809 c92efa57-630b-4861-b058-cf58834340f0
2017-08-31 10:00:01 +00:00
pietrodelugas
6de60f8af0
replacing gawk with awk for setting hdf5 library path
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13758 c92efa57-630b-4861-b058-cf58834340f0
2017-08-23 13:28:57 +00:00
pietrodelugas
f2f2ae0689
typo correction on previous commit
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13715 c92efa57-630b-4861-b058-cf58834340f0
2017-08-09 07:08:38 +00:00
pietrodelugas
5118e399a5
modified the FoX install script because it was not working on case insensitive filesystems
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13714 c92efa57-630b-4861-b058-cf58834340f0
2017-08-09 06:57:17 +00:00
degironc
a8340b4d40
Duplicate routines cdiaghg and rdiaghg moved from KS_Solvers/XX to LAXlib.
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Duplicate module mp_bands.f90 moved from KS_Solvers/XX to UtilXlib/mp_bands_util.f90
Makefiles and makedepend.sh updated
that should take care of the duplicate symbols
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13712 c92efa57-630b-4861-b058-cf58834340f0
2017-08-08 21:44:44 +00:00
pietrodelugas
065fa069cf
adding the forgotten install/configure file together with few other things
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13657 c92efa57-630b-4861-b058-cf58834340f0
2017-07-30 20:54:07 +00:00
pietrodelugas
ef26b499f8
we need to force FoX configure to select the same compiler selected by the general configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13655 c92efa57-630b-4861-b058-cf58834340f0
2017-07-30 18:25:55 +00:00
degironc
4636bca635
KS_Solvers directory has been created with three subdirectories:
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KS_Solvers/CG, KS_Solvers/Davidson, KS_Solvers/Davidson_RCI.
Two are currently used by QE, the third one implements the Davidson
diagonalization within the Reverse Communication Interface paradigm,
courtesy of Micael Oliveira.
KS_Solvers routines depend only on lower level libraries, notably UtilXlib,
LAXlib, (SCA)LAPACK, and BLAS.
reorganization can be improved. For instance some duplicated routines like
cdiaghg and rdiaghg could/should be moved in LAXlib. This could reduce the need
to include KS_Solvers directories in the link step of many codes.
Minimal changes to calling sequence have been made, essentially just adding
h_psi,s_psi,g_psi and h_1psi,s_1psi routines names as arguments (with a
specific calling sequence ihardcode inside the routines that agree with PWSCF one).
This could be avoided adopting the RCI paradigm.
Compiled in serial and parallel, 177/182 pw tests passed (3 that were failing
even before on my laptop pw-berry, pw-langevin, pw-pawatom + 2 unknown==not tested),
12 /17 cp tests passed (some o2-us-para-pbe-X fail but the same was for the
original version)
I assume the modified calling procedure is working and the problem lies somewhere else.
Randomly tested some examples in pw, ph, pwcond and it seams to work.
Please report any problem.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13644 c92efa57-630b-4861-b058-cf58834340f0
2017-07-29 12:19:19 +00:00
pietrodelugas
2d1e77948a
adding the FoX library to the archive and adding its compilation as external library
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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
degironc
fe8300299c
mp_diag.f90 moved from Modules to LAXlib
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dependencies updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13641 c92efa57-630b-4861-b058-cf58834340f0
2017-07-28 14:21:28 +00:00
giannozz
df779596bd
F77_FUNC wrapper for C routines deleted with all associated configure machinery.
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IMPORTANT: please verify the correct functioning of "ec_fill_radii" for qmmm
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13640 c92efa57-630b-4861-b058-cf58834340f0
2017-07-28 13:55:26 +00:00
degironc
3e20b43121
a problem with world_comm that was referenced in mp_global in
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an obscure way solved.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13638 c92efa57-630b-4861-b058-cf58834340f0
2017-07-28 12:32:24 +00:00
degironc
7fd27ba0ad
UtilXlib directory created to contain a library (libutil.a) for
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basic operations: error handling, timing clocks, interfaces to basic mpi
calls, find free units...
These routines are moved from Modules and dependencies to other modules
are removed.
MANY files are updated to comply with the move.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13629 c92efa57-630b-4861-b058-cf58834340f0
2017-07-26 11:15:20 +00:00
spigafi
db7c93931d
Removed references of stuff I do not maintain or develop anymore.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13615 c92efa57-630b-4861-b058-cf58834340f0
2017-07-22 14:33:19 +00:00
giannozz
93832116a9
Some more minor C-fortran cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13606 c92efa57-630b-4861-b058-cf58834340f0
2017-07-18 17:35:40 +00:00
giannozz
9d3cd8474e
Home-made definition of C_POINTER, used by FFTW, replaced by standard
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iso_c_module types and variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13600 c92efa57-630b-4861-b058-cf58834340f0
2017-07-15 14:24:22 +00:00
sponce
8e0bc6116e
Addition of external download of SternheimerGW to the Makefile
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By Martin Schlipf
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13595 c92efa57-630b-4861-b058-cf58834340f0
2017-07-13 13:36:19 +00:00
giannozz
ac97151f87
Patches by Pietro Bonfa' for new ELPA; configure updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13583 c92efa57-630b-4861-b058-cf58834340f0
2017-06-30 08:44:25 +00:00
pietrodelugas
9eda5085fe
in previous commit a automatically generated file, real change is here
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13566 c92efa57-630b-4861-b058-cf58834340f0
2017-06-10 17:55:44 +00:00
pietrodelugas
3f4c30831f
when available the configure script can query directly the hdf5 library for the proper libraries paths
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13565 c92efa57-630b-4861-b058-cf58834340f0
2017-06-10 13:54:35 +00:00
giannozz
86735b69ae
Link for GIPAW updated so that it compiles with the svn version
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13518 c92efa57-630b-4861-b058-cf58834340f0
2017-05-18 13:18:36 +00:00
giannozz
1a573d9781
New xml should be the default
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13496 c92efa57-630b-4861-b058-cf58834340f0
2017-05-08 07:20:46 +00:00
giannozz
bc7be41c07
- Small configure changes proposed by Scot Brosell (Ohio Supercomputer Center)
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- configure updated (using v.2.69 of autoconf instead of v.2.63, so many
differences but little new)
- Small documentation updates
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13490 c92efa57-630b-4861-b058-cf58834340f0
2017-05-04 07:50:58 +00:00
giannozz
9ef1b00e40
The new xml format with schema is now the default. Use configure option
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"--disable-xml", or add -D__OLDXML to MANUAL_FLAGS in make.inc, to revert
to the old xml format (note: configure is not yet updated). IMPORTANT NOTICE:
some codes *.e.g CP) will no longer work with the default choice, until fixed.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13405 c92efa57-630b-4861-b058-cf58834340f0
2017-03-16 09:42:22 +00:00
spigafi
b613387c8e
Bump version up
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13374 c92efa57-630b-4861-b058-cf58834340f0
2017-03-03 10:59:41 +00:00
spigafi
c939f2f347
Refresh configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13341 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 09:34:51 +00:00
spigafi
472faa2c2e
West 2.0.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13338 c92efa57-630b-4861-b058-cf58834340f0
2017-02-23 08:00:42 +00:00
paulatto
5951c8373a
New location for the d3q project, also automatic download of the latest tar.gz is now possible (independently from the version hard-coded in the makefile), to allow for bugfixes to be distributed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13332 c92efa57-630b-4861-b058-cf58834340f0
2017-02-20 14:47:25 +00:00
spigafi
db3d9d28c7
Regenerated configure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13284 c92efa57-630b-4861-b058-cf58834340f0
2017-02-05 14:25:25 +00:00
spigafi
ee04aa519a
PGI does not need two-step preprocessing
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13283 c92efa57-630b-4861-b058-cf58834340f0
2017-02-05 14:20:21 +00:00
pietrodelugas
0e848e34f7
fixed the hdf5 library check in autoconf script
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13281 c92efa57-630b-4861-b058-cf58834340f0
2017-02-02 15:28:05 +00:00
spigafi
ede7a95597
Disabled ELPA 2016.05.003, added new API for ELPA 2016.11.001_pre.
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Configure does not detect the version, make sure you got the right one!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13250 c92efa57-630b-4861-b058-cf58834340f0
2017-01-15 16:36:42 +00:00
sponce
b6571811da
Update from wannier90-2.0.1 to the new wannier90-2.1.0
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13225 c92efa57-630b-4861-b058-cf58834340f0
2017-01-07 16:42:26 +00:00
spigafi
1850d92c41
Cosmetic changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13212 c92efa57-630b-4861-b058-cf58834340f0
2016-12-24 22:48:40 +00:00
paulatto
9355290c84
D3Q updated to latest version.
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I hope this is enough to get it downloaded, it would also be nice to have some kind of "latest" verion link that I can update. I'm thinking about moving this to some external server space for convenience (let me know if these problems are going to be obsolete with the upcoming portal update I've heard about)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13186 c92efa57-630b-4861-b058-cf58834340f0
2016-11-28 10:25:41 +00:00
giannozz
229692d720
Cleanup of FFTXlib:
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1) routines fwfft and invfft moved out of file fft_interfaces.f90 into new
file fft_fwinv.f90. Prevents massive recompilation if something changes
in the FFT routines.
2) machine-dependent fft_scalar.*.f90 are now modules with different names,
conditionally included into fft_scalar with a USE, no longer an #include.
Avoids trouble with dependencies, allow simplification of makedeps.sh.
All changes should be harmless, but I have tested only FFTW, FFTW3, DFTI.
Please let me know if there is any problem
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13185 c92efa57-630b-4861-b058-cf58834340f0
2016-11-27 21:43:15 +00:00
giannozz
388e5e4b58
QE made ready to use MPI module instead of mpif.h include file. See the three
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files Modules/parallel_include.f90, LAXlib/la_param.f90, FFTXlib/fft_param.f90
The latter two are now modules and are included as modules, no longer as files
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13183 c92efa57-630b-4861-b058-cf58834340f0
2016-11-25 14:11:28 +00:00
giannozz
0350d74c8f
No reason to have {} for one variable and () for all others
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13177 c92efa57-630b-4861-b058-cf58834340f0
2016-11-24 08:16:19 +00:00
giannozz
08a362bc23
Miscellaneous cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13165 c92efa57-630b-4861-b058-cf58834340f0
2016-11-19 18:24:14 +00:00
giannozz
0c0e1a3a21
Cleanup of __GFORTRAN and __INTEL #ifdefs, replaced by compiler-enabled
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preprocessing options (note: configure not updated)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13092 c92efa57-630b-4861-b058-cf58834340f0
2016-10-05 17:48:02 +00:00
giannozz
d7895a81ac
Safer detection of FFT libraries with Intel MKL
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13089 c92efa57-630b-4861-b058-cf58834340f0
2016-10-05 14:50:44 +00:00
spigafi
4fe0325106
Updated packaging procedure (still a lot of manual labor and checking, far than perfect)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13082 c92efa57-630b-4861-b058-cf58834340f0
2016-10-04 07:29:34 +00:00
spigafi
6bdbee1b18
Configure regenerated (to backpot in to tag 6.0)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13079 c92efa57-630b-4861-b058-cf58834340f0
2016-10-03 15:46:12 +00:00
ferretti
68da70db0a
small bug fixed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13078 c92efa57-630b-4861-b058-cf58834340f0
2016-10-03 15:03:30 +00:00
ferretti
fd83e84dfe
WanT download made version independent
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13077 c92efa57-630b-4861-b058-cf58834340f0
2016-10-03 13:54:36 +00:00
spigafi
69cd3955c0
PWgui included in qe source package
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13057 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 10:01:15 +00:00
spigafi
9f1324e20b
"Examples" is a new external target
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13056 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 09:32:22 +00:00
spigafi
334d6f9823
Fix D3Q target, added Examples
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13055 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 08:50:42 +00:00
spigafi
ad603aeaed
New packaging
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13052 c92efa57-630b-4861-b058-cf58834340f0
2016-10-01 17:20:29 +00:00
spigafi
18c3354bc4
Detecting FFTW3 is not yet perfect ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13050 c92efa57-630b-4861-b058-cf58834340f0
2016-10-01 17:10:43 +00:00
spigafi
afc5313ca8
Supress warning in case of serial compilation
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13049 c92efa57-630b-4861-b058-cf58834340f0
2016-10-01 17:10:07 +00:00
spigafi
da25d73e12
Updated WEST
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13048 c92efa57-630b-4861-b058-cf58834340f0
2016-10-01 13:59:08 +00:00
spigafi
3eccb2d40c
Updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13047 c92efa57-630b-4861-b058-cf58834340f0
2016-10-01 13:55:35 +00:00
spigafi
08cb39e8b8
ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added
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"--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
kokalj
5654816df6
typo correction
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13031 c92efa57-630b-4861-b058-cf58834340f0
2016-09-27 09:14:12 +00:00
pietrodelugas
608a4a23fe
configure was failing to detect the hdf5 library with gcc that needs some hind to find where H5Fcreate is
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13014 c92efa57-630b-4861-b058-cf58834340f0
2016-09-24 18:28:40 +00:00
paulatto
09097a29bb
Putting back the last commit which I had reverted by mistake
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12985 c92efa57-630b-4861-b058-cf58834340f0
2016-09-19 13:13:45 +00:00
paulatto
36b863d7cd
Added automatic download and compialtion of D3Q and phonon thermal transport codes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12984 c92efa57-630b-4861-b058-cf58834340f0
2016-09-19 13:03:44 +00:00
spigafi
ffa1b2289d
Try to avoid full path in make.inc in LAPACK_LIBS and BLAS_LIBS. Helps avoiding
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compiler error in environment.f90 when a string exceeds 132 characters
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12955 c92efa57-630b-4861-b058-cf58834340f0
2016-09-11 15:03:08 +00:00
spigafi
ce83f0bd4a
PHonon d3.x does not exist anymore
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12954 c92efa57-630b-4861-b058-cf58834340f0
2016-09-11 15:01:06 +00:00
spigafi
77c713cf07
BLAS is not longer internal/external. It always comes with Netlib LAPACK or
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vendor-optimized math library detected by the configure
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12950 c92efa57-630b-4861-b058-cf58834340f0
2016-09-11 13:49:55 +00:00
spigafi
ce634465c3
The position where AC_ARG_WITH and AC_ARG_ENABLE are located matters.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12945 c92efa57-630b-4861-b058-cf58834340f0
2016-09-10 22:00:14 +00:00
spigafi
4890596d9d
"--with-internal-blas" and "--with-internal-lapack" deprecated and collapsed in
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"--with-netlib". Netlib LAPACK package still present under archive/, tested
self-downloading in case it is missing
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12944 c92efa57-630b-4861-b058-cf58834340f0
2016-09-10 21:27:20 +00:00
spigafi
7f7807a958
Netlib BLAS is part of Netlib LAPACK (same packaging). No point to keep two
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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
43872cf725
Netlib LAPACK is shipped with its own BLAS
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12938 c92efa57-630b-4861-b058-cf58834340f0
2016-09-09 13:57:30 +00:00
spigafi
5f2d8af74c
Compact form, minor fixes. I hope this is the last time I have to touch it...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12937 c92efa57-630b-4861-b058-cf58834340f0
2016-09-09 13:56:17 +00:00
spigafi
924f0147d8
Major version extracted properly when Intel compiler is used
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12935 c92efa57-630b-4861-b058-cf58834340f0
2016-09-09 13:02:56 +00:00
spigafi
3d761c6060
Fix needed to deal with awful URL generated by QE-FORGE
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12934 c92efa57-630b-4861-b058-cf58834340f0
2016-09-09 13:02:12 +00:00
spigafi
7757328be1
Improved HDF5 checks by controlling major/minor version of GNU (>= 4.9) and by
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verifying if hdf5.mod exists. Silent but in MPIF90 checkings due to awk. awk
and autoconf is a nasty combination, never do it! awk now replaced with cut.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12933 c92efa57-630b-4861-b058-cf58834340f0
2016-09-09 10:20:08 +00:00
spigafi
57a852b34a
"download_and_unpack" used for all plug-ins and netlib libraries. Implementation
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can be better, still working on this...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12931 c92efa57-630b-4861-b058-cf58834340f0
2016-09-08 22:20:44 +00:00
spigafi
f48447ed67
These files are no need anymore
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12930 c92efa57-630b-4861-b058-cf58834340f0
2016-09-08 22:18:41 +00:00
spigafi
21a0e267b4
Updated Netlib versions (BLAS to 3.6.0, LAPACK to 3.6.1).
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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
spigafi
80c9a93100
Why force cross-compiling mode every time? Let see how things go without it ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12927 c92efa57-630b-4861-b058-cf58834340f0
2016-09-08 09:18:36 +00:00
spigafi
9fbfde5865
AC_CHECK_FILE if cross_compiling=no or AC_CHECK_HEADER if cross-compiling=yes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12926 c92efa57-630b-4861-b058-cf58834340f0
2016-09-08 09:13:46 +00:00
spigafi
65bf3e129a
HDF5_LIB, not HFD5_LIB
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12909 c92efa57-630b-4861-b058-cf58834340f0
2016-09-02 12:19:28 +00:00
spigafi
8ce42462e1
__PARA completely deprecated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12902 c92efa57-630b-4861-b058-cf58834340f0
2016-09-01 11:19:13 +00:00
spigafi
7dbc8682dd
Cleaning GPU targets. Version numbers updated.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12875 c92efa57-630b-4861-b058-cf58834340f0
2016-08-29 13:06:21 +00:00
giannozz
f54a31d7b6
"vi" ahi ahi
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12874 c92efa57-630b-4861-b058-cf58834340f0
2016-08-29 12:49:09 +00:00
giannozz
325d3a75c6
The last changes to the makedeps script were not so smart (the script itself is
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not so smart and should be simplified as much as possible). Minor Makefile
change: it is no longer needed to compile Modules in order to run the makedeps
script (it is sufficient to regenerate the version.f90 file).
make.depend updated: there were several dependencies of nonexistent files.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12873 c92efa57-630b-4861-b058-cf58834340f0
2016-08-29 12:42:14 +00:00
giannozz
efa859db8c
makedeps script updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12871 c92efa57-630b-4861-b058-cf58834340f0
2016-08-29 07:49:22 +00:00
spigafi
db91f99ce3
Prehistoric. Removed.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12870 c92efa57-630b-4861-b058-cf58834340f0
2016-08-28 22:55:43 +00:00
spigafi
f9db262ff3
I believe FERMI does not exist anymore ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12869 c92efa57-630b-4861-b058-cf58834340f0
2016-08-28 22:53:08 +00:00
spigafi
7097b1cfea
Never properly maintained. Removed.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12868 c92efa57-630b-4861-b058-cf58834340f0
2016-08-28 22:31:36 +00:00
spigafi
de10aaed31
Very few BlueGene/Q left in the world (and soon they will be dismissed).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12867 c92efa57-630b-4861-b058-cf58834340f0
2016-08-28 22:29:39 +00:00
spigafi
c677659169
--enable-xml add __XDS to make.inc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12862 c92efa57-630b-4861-b058-cf58834340f0
2016-08-28 10:33:22 +00:00
spigafi
3f01729b5f
OpenMP flag changes if ifort version > 15. Changed few name comnvention inside m4 files. configure script regenerated.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12855 c92efa57-630b-4861-b058-cf58834340f0
2016-08-27 11:06:46 +00:00
spigafi
f08e946b63
Another revert (r12419): cpp used only when needed instead of every time.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12854 c92efa57-630b-4861-b058-cf58834340f0
2016-08-27 09:54:12 +00:00
spigafi
1294cd1733
HDF5 configured in semi-automatic way, a valid installation path must be specified.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12853 c92efa57-630b-4861-b058-cf58834340f0
2016-08-26 20:38:11 +00:00
spigafi
6280936868
First HDF5 support -- changes pending
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12850 c92efa57-630b-4861-b058-cf58834340f0
2016-08-26 14:34:01 +00:00
spigafi
45a9c121aa
Minor updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12843 c92efa57-630b-4861-b058-cf58834340f0
2016-08-26 00:37:34 +00:00
spigafi
79ea4da189
Reverting a change causing problems (r12419)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12842 c92efa57-630b-4861-b058-cf58834340f0
2016-08-25 22:34:49 +00:00
giannozz
7ce7d161bf
Makefile simplification: TOPDIR is used to define the same LIBOBJS everywhere.
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In case of trouble, see instruction in the make.inc file.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12840 c92efa57-630b-4861-b058-cf58834340f0
2016-08-25 19:27:31 +00:00
sponce
9fb8eac101
I forgot two .inc in configure... sorry.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12553 c92efa57-630b-4861-b058-cf58834340f0
2016-07-01 11:17:31 +00:00
sponce
adcd78e7d5
Changes from .sys to .inc.
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.sys has to be conserved temporarily to be compatible with Wannier90.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12552 c92efa57-630b-4861-b058-cf58834340f0
2016-07-01 10:08:41 +00:00
giannozz
157eff6074
This is also needed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12540 c92efa57-630b-4861-b058-cf58834340f0
2016-06-25 07:29:38 +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
giannozz
8c9e19e6ac
configure-new is actually old and not usued
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12486 c92efa57-630b-4861-b058-cf58834340f0
2016-06-11 15:00:38 +00:00
spigafi
f6fc0c59bb
Since we use now the configure.h generated by WanT, let remove it only when distclean is invoked
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12420 c92efa57-630b-4861-b058-cf58834340f0
2016-05-19 08:34:33 +00:00
giannozz
28b480434e
Improvements of configure, courtesy of David Strubbe
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12419 c92efa57-630b-4861-b058-cf58834340f0
2016-05-18 19:05:54 +00:00
giannozz
bbfca3eabb
Option -C to cpp removed; various blas/lapack cases marked as obsolete
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12416 c92efa57-630b-4861-b058-cf58834340f0
2016-05-18 13:51:34 +00:00
spigafi
513e19fccf
Configure re-generated as per request in r12364
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12409 c92efa57-630b-4861-b058-cf58834340f0
2016-05-15 17:39:27 +00:00
spigafi
d9f4d5655f
Minor changes in various makefiles
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12408 c92efa57-630b-4861-b058-cf58834340f0
2016-05-15 17:38:52 +00:00
spigafi
9091dbcf18
Minor fixes to make install
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12407 c92efa57-630b-4861-b058-cf58834340f0
2016-05-15 16:46:55 +00:00
giannozz
74dddf1e9f
This wasn't supposed to be in the previous commit
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12365 c92efa57-630b-4861-b058-cf58834340f0
2016-04-27 15:01:44 +00:00
giannozz
df30a665aa
Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to
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prevent trouble with OS-X. May or may not work (it won't unless configure
is updated: please somebody with v.2.63 of autoconf do it), may turn out to
be obsolete anyway.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12364 c92efa57-630b-4861-b058-cf58834340f0
2016-04-27 14:53:38 +00:00
spigafi
9f75263c56
Final fixes for EPW build process. Now it works ... yeee
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12356 c92efa57-630b-4861-b058-cf58834340f0
2016-04-25 17:19:14 +00:00
sponce
589e35f0a4
EPW Makefile bugfix.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12355 c92efa57-630b-4861-b058-cf58834340f0
2016-04-25 16:31:58 +00:00
spigafi
82a202d03c
Couple of typos fixed backported from v5.4.0 archive
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12354 c92efa57-630b-4861-b058-cf58834340f0
2016-04-25 11:40:02 +00:00
spigafi
a8a8fcb756
EPW downloaded and unpacked if not present in the working directory
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12353 c92efa57-630b-4861-b058-cf58834340f0
2016-04-25 11:23:14 +00:00
spigafi
d5641dc15a
Getting ready for v5.4.0 release
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12348 c92efa57-630b-4861-b058-cf58834340f0
2016-04-24 18:25:19 +00:00
giannozz
e94ed4d517
Bug in Raman fixed, misc documentation updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12334 c92efa57-630b-4861-b058-cf58834340f0
2016-04-22 12:51:16 +00:00
spigafi
abc2759165
Fix issues on BlueGene -- configure not regenerated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12333 c92efa57-630b-4861-b058-cf58834340f0
2016-04-22 11:07:33 +00:00
giannozz
baaa62ae0a
Configure modified so that it produces a file include/configure.h with
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compilation info - borrowed from WanT. Not yet used anywhere, though,
but it could be easily included and reprinted at startup.
EVERYBODY PLEASE CHECK include/defs.h.README FOR COMPLETENESS AND CORRECTNESS!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12292 c92efa57-630b-4861-b058-cf58834340f0
2016-04-10 16:34:50 +00:00
degironc
a2ede6d760
qexml.f90/pw_restart.f90 : saves/reads variable acfdt_in_pw which is set by default
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to .false. in acfdt_in_pw.f90.
wfcinit.f90 checks whether wfc unit is open before reading. if not opens it and
closes it after reading. ie: the status of the unit is the same as it was originally.
makedeps.sh updated for ACFDT/src directory
all these changes should be harmless unless one plays with acfdt_in_pw
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12278 c92efa57-630b-4861-b058-cf58834340f0
2016-04-04 20:16:41 +00:00
degironc
620330f595
-npot flag to deal with potential parallelization (recently suppressed) mapped into image parallelization
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a few more flags needed for ACFDT added to acfdtest.f90 (hopefully soon to be removed)
makedeps.sh adapted to the new LR_Modules structure
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12247 c92efa57-630b-4861-b058-cf58834340f0
2016-03-24 19:14:59 +00:00
puma
2ec67fa984
Added GWL BSW.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12234 c92efa57-630b-4861-b058-cf58834340f0
2016-03-21 11:31:57 +00:00
sponce
13ebafb372
Modification to the EPW makefile + debug of qmmm.f90 for gfortran suggested by Paolo
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12203 c92efa57-630b-4861-b058-cf58834340f0
2016-03-10 15:23:43 +00:00
timrov
01bf571bd4
The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules.
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Further reunification of TDDFPT with the routines in LR_Modules can and should be done.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12183 c92efa57-630b-4861-b058-cf58834340f0
2016-02-28 15:47:13 +00:00
giannozz
2afbc2c441
Removal of obsolete case: MKL v.8 and earlier
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12088 c92efa57-630b-4861-b058-cf58834340f0
2016-02-02 12:31:49 +00:00
giannozz
37a161e9c6
Minor documentation updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12084 c92efa57-630b-4861-b058-cf58834340f0
2016-01-30 21:54:15 +00:00
giannozz
a89c019e29
Setting of FDFLAGS on AIX machines wasn't working any longer
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12081 c92efa57-630b-4861-b058-cf58834340f0
2016-01-30 08:01:40 +00:00
giannozz
33ec1a8646
A few minor things left out of last commit
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12074 c92efa57-630b-4861-b058-cf58834340f0
2016-01-26 13:06:44 +00:00
spigafi
93d651f847
Improving FFTW detection (courtesy of Nicola Varini).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12069 c92efa57-630b-4861-b058-cf58834340f0
2016-01-26 05:05:27 +00:00
ccavazzoni
8bc1abd65e
- Changes for LAXlib
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12063 c92efa57-630b-4861-b058-cf58834340f0
2016-01-23 20:10:40 +00:00
spigafi
6ac81c8eb2
Detecting HDF5 (the associated m4 is not fully tested, do not regenerate the configure yet).
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12055 c92efa57-630b-4861-b058-cf58834340f0
2016-01-23 18:10:54 +00:00
degironc
c436762fe4
dependencies and Makefiles updated so that "make all" compiles
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PH/phcom.f90 split in PH/phcom.f90 + LR_Modules/lrcom.f90 that contains
qpoint module
A number of routines using these variables needed to be modified to explicitely
load qpoint (in addition to phcom)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12005 c92efa57-630b-4861-b058-cf58834340f0
2016-01-18 22:48:44 +00:00
giannozz
734458dd8c
Script that produces dependencies simplified and re-ordered
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12004 c92efa57-630b-4861-b058-cf58834340f0
2016-01-18 21:07:04 +00:00
spigafi
cb2e008d8d
Old stuff
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11978 c92efa57-630b-4861-b058-cf58834340f0
2016-01-12 05:09:26 +00:00
spigafi
d55fa05fb7
These specialized up-to-date make.sys examples for CRAY XK7 are probably not up-to-date anymore...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11977 c92efa57-630b-4861-b058-cf58834340f0
2016-01-12 05:08:23 +00:00
spigafi
7304bde6b6
Re-introduced support to recent Apple/OSX
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11976 c92efa57-630b-4861-b058-cf58834340f0
2016-01-12 04:59:04 +00:00
spigafi
6ea4f9c1ae
Release done.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11972 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 16:17:53 +00:00
spigafi
4ab97b879e
Cleaning targets for SaX...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11970 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 16:06:29 +00:00
giannozz
d711fe253b
"make depend" updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11969 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 16:03:06 +00:00
spigafi
36ecf44b2c
Final list maintainers
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11967 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 15:44:24 +00:00
marsamos
413688e796
added sax modif in plugin_makefile
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11965 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 15:13:32 +00:00
spigafi
33438bfa8a
Adding SaX
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11964 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 13:38:50 +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
2d180223ce
New maintainers
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11955 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 07:13:28 +00:00
spigafi
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
dceresoli
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
dalcorso
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
ferretti
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
spigafi
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
ferretti
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
spigafi
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
spigafi
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
spigafi
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
spigafi
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
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
ferretti
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
ccavazzoni
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
ccavazzoni
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