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158 Commits

Author SHA1 Message Date
Ye Luo 34f6e7c653 Require libxc Fortran component. 2021-02-20 15:52:26 -06:00
giannozz 37e049ef78 Merge branch 'libxc-cmake' into 'develop' 
cmake with latest libxc release 5.1.2

See merge request QEF/q-e!1337
 2021-02-20 20:44:35 +00:00
fabrizio22 2a91940e52 cmake with libxc 5.1.2 - adjustments 2021-02-17 16:06:18 +01:00
fabrizio22 56182d55ea cmake with latest libxc release 5.1.2 2021-02-16 16:04:23 +01:00
Paolo Giannozzi 122caa6dd9 More ARMLib FFT removal 2021-02-13 10:07:35 +01:00
Ye Luo 00b5d753fa Remove nvcc check. 2021-01-31 18:09:06 -06:00
Ye Luo 35ad49ead2 Let nvfortran decide what cudatoolkit to use. 2021-01-31 18:08:57 -06:00
giannozz 9bcb7ce91f Merge branch 'add-ctest-run-without-check' into 'develop' 
[CMake]  keep both dependency logic in ctest

Closes #270

See merge request QEF/q-e!1299
 2021-01-29 13:57:00 +00:00
Ye Luo cfe5587a53 Turn on tests in CMake by default. 2021-01-28 19:26:34 -06:00
Ye Luo 61c435996c Merge branch 'nvtx_mr' into 'develop' 
adding the calls to nvidia profiler plugin in the main code

See merge request QEF/q-e!1293
 2021-01-29 00:04:56 +00:00
Pietro Delugas 703eb71f24 [CMake] PROFILE_NVTX allowed only if cuda toolkit is found 
suggestion of @danielecesarini
 2021-01-28 18:53:13 +01:00
Pietro Delugas 5854e5d4ba more appropriate way to set up the linking option for NVTX 
thanks to @danielecesarini
 2021-01-28 12:15:14 +01:00
Pietro Delugas e36cb4cfa5 completin MR with changes suggested by reviewers 2021-01-27 00:19:34 +01:00
Pietro Delugas 747bbf0d76 adding the calls to nvidia profiler plugin in the main code 
they plugin is compiled only whe the __NV_PROFILE preprocessor file is defined.
 2021-01-25 15:35:37 +01:00
Ye Luo 5214bd33ed Merge branch 'develop' into add-ctest-run-without-check 2021-01-24 11:25:18 -06:00
Ye Luo d2525481ab Remove non-exist target. 2021-01-24 11:24:41 -06:00
Ye Luo 69c2133395 Fix ctest MPI. 2021-01-24 11:06:33 -06:00
Ye Luo 9d2e6cfaee Add test-suite to ctest. No result checking so far. 2021-01-24 11:06:33 -06:00
Pietro Bonfa 0c285826d2 Merge branch 'develop' into syncqe8 2021-01-21 19:27:49 +01:00
Pietro d1ec367d9d Aligned gpu-develop branch with develop from QEF/q-e. 2021-01-19 22:16:25 +00:00
Daniele Cesarini 586f66aadf Introduce CUDA support in CMake with some refactoring. 2021-01-18 14:50:50 +00:00
fabrizio22 a04015ceff XClib - cmake fix 2021-01-06 15:38:31 +01:00
joshuadelliott ed893dc425 Merge branch 'develop' into 'gwl_Www' 
# Conflicts:
#   GWW/CMakeLists.txt
 2020-11-24 10:45:38 +00:00
Daniele Cesarini b2a4a6b89f Fixed shared library compilation 2020-11-23 12:16:32 +01:00
joshuadelliott 3f4cdb3a16 Merge branch 'develop' into 'gwl_Www' 
# Conflicts:
#   FFTXlib/CMakeLists.txt
 2020-11-23 08:08:14 +00:00
joshuadelliott ebacfb2a8b Attempt to fix failed cmake build 2020-11-22 23:25:55 +00:00
Daniele Cesarini ccc18a5e9c Hard stop for to request Internal FFTW explicitly 2020-11-22 12:42:36 +01:00
Daniele Cesarini c300d75842 Rebase on upstream 2020-11-22 12:29:43 +01:00
Daniele Cesarini 8387b05035 Fixed FFT discovery 2020-11-22 12:26:21 +01:00
Daniele Cesarini 106990baa4 Add FFTW vendor library search logic in cmake 2020-11-22 12:26:21 +01:00
Daniele Cesarini 9b571dd154 Fix typo 2020-11-22 12:26:21 +01:00
Daniele Cesarini 0079f9ffe5 Add FFTW vendor library search logic in cmake 2020-11-16 17:46:25 +01:00
Daniele Cesarini 22969f83f3 Fix typo 2020-11-16 17:46:25 +01:00
Daniele Cesarini 3dd338a5cd Improved architecture discovery 2020-11-03 16:46:09 +01:00
Daniele Cesarini 1cf8d437cf Forgot status message 2020-11-03 12:45:47 +01:00
Daniele Cesarini db63a2e7c7 Fixed MKL discovery for 32bit systems 2020-11-03 12:43:51 +01:00
Daniele Cesarini 47b35f06bc Fixed bug to pick up serial/threaded MKL/ARMPL precisely 2020-11-03 12:29:26 +01:00
Daniele Cesarini bdeda7698b Fixed bug on ARMPL discovery 2020-11-03 12:28:22 +01:00
giannozz 6185c9a1f6 Merge branch 'add_matdyncmk' into 'develop' 
[CMake] adding matdyn.x to PH executables

See merge request QEF/q-e!1170
 2020-10-25 16:44:23 +00:00
Pietro Delugas 9b505f4a56 [CMake] adding matdyn.x to PH executables 2020-10-25 16:50:32 +01:00
Ye Luo 5d68bd3f98 Add QE_LAPACK_INTERNAL to control internal LAPACK. 2020-10-24 18:41:55 -05:00
Daniele Cesarini 7570cd2064 Removed duplicated libraries in LAPACK and FFTW discovery 2020-10-22 18:39:27 +02:00
Daniele Cesarini 8973a9195c Fixed the discovery of the vendor FFTW when ESSL BLAS are used 2020-10-22 18:20:33 +02:00
Daniele Cesarini c9b833344a Wiped out FFTW variants 2020-10-22 10:28:57 +02:00
Daniele Cesarini 612b4ba99b Protection of ARMPL warning when CMake is less then v3.18 on ARM-based systems 2020-10-21 19:11:10 +02:00
Daniele Cesarini 9677b3583d Added CMake VendorFFT() 2020-10-21 13:47:54 +02:00
Daniele Cesarini 1d7bf02c24 Decreased the cmake version to 3.14 due Gitlab CI run v3.16.3 2020-10-21 13:47:54 +02:00
Daniele Cesarini 4865606b13 Rebase on QE official repo 2020-10-21 13:46:37 +02:00
Ye Luo ce51ea4c5d Require ISO C11 on PGI only. 2020-10-18 13:39:47 -04:00
Ye Luo bd5ba4a4a9 Add C11 requirement. 2020-10-18 13:05:09 -04:00