0350d74c8f
No reason to have {} for one variable and () for all others
...
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
08a362bc23
Miscellaneous cleanup
...
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
0c0e1a3a21
Cleanup of __GFORTRAN and __INTEL #ifdefs, replaced by compiler-enabled
...
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
d7895a81ac
Safer detection of FFT libraries with Intel MKL
...
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
4fe0325106
Updated packaging procedure (still a lot of manual labor and checking, far than perfect)
...
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
6bdbee1b18
Configure regenerated (to backpot in to tag 6.0)
...
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
68da70db0a
small bug fixed
...
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
fd83e84dfe
WanT download made version independent
...
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
69cd3955c0
PWgui included in qe source package
...
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
9f1324e20b
"Examples" is a new external target
...
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
334d6f9823
Fix D3Q target, added Examples
...
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
ad603aeaed
New packaging
...
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
18c3354bc4
Detecting FFTW3 is not yet perfect ...
...
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
afc5313ca8
Supress warning in case of serial compilation
...
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
da25d73e12
Updated WEST
...
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
3eccb2d40c
Updates
...
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
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
5654816df6
typo correction
...
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
608a4a23fe
configure was failing to detect the hdf5 library with gcc that needs some hind to find where H5Fcreate is
...
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
09097a29bb
Putting back the last commit which I had reverted by mistake
...
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
36b863d7cd
Added automatic download and compialtion of D3Q and phonon thermal transport codes
...
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
ffa1b2289d
Try to avoid full path in make.inc in LAPACK_LIBS and BLAS_LIBS. Helps avoiding
...
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
ce83f0bd4a
PHonon d3.x does not exist anymore
...
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
77c713cf07
BLAS is not longer internal/external. It always comes with Netlib LAPACK or
...
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
ce634465c3
The position where AC_ARG_WITH and AC_ARG_ENABLE are located matters.
...
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
4890596d9d
"--with-internal-blas" and "--with-internal-lapack" deprecated and collapsed in
...
"--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
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
43872cf725
Netlib LAPACK is shipped with its own BLAS
...
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
5f2d8af74c
Compact form, minor fixes. I hope this is the last time I have to touch it...
...
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
924f0147d8
Major version extracted properly when Intel compiler is used
...
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
3d761c6060
Fix needed to deal with awful URL generated by QE-FORGE
...
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
7757328be1
Improved HDF5 checks by controlling major/minor version of GNU (>= 4.9) and by
...
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
57a852b34a
"download_and_unpack" used for all plug-ins and netlib libraries. Implementation
...
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
f48447ed67
These files are no need anymore
...
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
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
80c9a93100
Why force cross-compiling mode every time? Let see how things go without it ...
...
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
9fbfde5865
AC_CHECK_FILE if cross_compiling=no or AC_CHECK_HEADER if cross-compiling=yes
...
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
65bf3e129a
HDF5_LIB, not HFD5_LIB
...
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
8ce42462e1
__PARA completely deprecated
...
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
7dbc8682dd
Cleaning GPU targets. Version numbers updated.
...
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
f54a31d7b6
"vi" ahi ahi
...
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
325d3a75c6
The last changes to the makedeps script were not so smart (the script itself is
...
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
efa859db8c
makedeps script updated
...
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
db91f99ce3
Prehistoric. Removed.
...
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
f9db262ff3
I believe FERMI does not exist anymore ...
...
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
7097b1cfea
Never properly maintained. Removed.
...
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
de10aaed31
Very few BlueGene/Q left in the world (and soon they will be dismissed).
...
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
c677659169
--enable-xml add __XDS to make.inc
...
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
3f01729b5f
OpenMP flag changes if ifort version > 15. Changed few name comnvention inside m4 files. configure script regenerated.
...
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
f08e946b63
Another revert (r12419): cpp used only when needed instead of every time.
...
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
giannozz