scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
20,102 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

78 Commits

Author SHA1 Message Date
Ye Luo d146e25482 Only link requested FFTW components. 
FFTW components may be cached in a previous cmake invocation.
Only those got requested should be linked.
Reproducer:
cmake -DQE_FFTW_VENDOR=FFTW3 -DQE_ENABLE_OPENMP=ON ..
cmake -DQE_FFTW_VENDOR=FFTW3 -DQE_ENABLE_OPENMP=OFF ..
The second cmake still adds libfftw3_omp
 2021-05-09 14:06:51 -05:00
Ye Luo e429c040d3 Workaround nvfortran O3 bug in CMake Release build. 2021-04-18 17:57:37 -05:00
Daniele Cesarini 6de9b6eb46 CMAKE: Cuda flag refactoring for NVHPC > 20.7 2021-04-10 14:20:16 +02:00
Daniele Cesarini 042a8ca1a0 CMake fixes for shared lib builds and added a CI build for NVHPC 2021-04-06 19:07:49 +00:00
Ye Luo a3f3f71860 Add missing target_link_libraries in ESSL case. 2021-03-10 22:42:36 -06:00
toxa81 9395493fdd fixes to the FindLibxc logic 2021-03-05 17:39:55 +01:00
toxa81 7ac0a4e6b2 add FindLibxc module 2021-03-04 00:20:10 +01:00
Daniele Cesarini 586f66aadf Introduce CUDA support in CMake with some refactoring. 2021-01-18 14:50:50 +00:00
fabrizio22 7de63e6e4e XClib - test temporarily out of cmake 2021-01-06 16:06:22 +01:00
Daniele Cesarini 106990baa4 Add FFTW vendor library search logic in cmake 2020-11-22 12:26:21 +01:00
Daniele Cesarini 0f107f63d5 Fixed bug on vendor FFTW discovery 2020-10-23 15:33:18 +02:00
Daniele Cesarini 3164ea0f1a Fixed vendor discovery of the ARMPL FFTW wrapper 2020-10-23 15:20:23 +02:00
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 f3df0b787e Added the discovery of the fortran header file when looking for the include directory in FindFFTW() 2020-10-22 14:25:16 +02:00
Daniele Cesarini c9b833344a Wiped out FFTW variants 2020-10-22 10:28:57 +02:00
Daniele Cesarini d876134bcb Fixed ESSL naming convention 2020-10-21 18:03:00 +02:00
Daniele Cesarini 513f8a3990 Auto update of the QE version for pkg-config file 2020-10-21 17:50:35 +02:00
Daniele Cesarini 6ac485608c Fixed bug in FindFFTW (just quoting a string) 2020-10-21 13:47:55 +02:00
Daniele Cesarini b6d123f716 Added LD_LIBRARY_PATH in the search directory of the FFTW 2020-10-21 13:47:55 +02:00
Daniele Cesarini b4da8c9283 Fixed bug in cmake string replacement 2020-10-21 13:47:55 +02:00
Daniele Cesarini 79ad35b822 Defined a specific search path for environment variables 2020-10-21 13:47:55 +02:00
Daniele Cesarini c165855275 Remove ARMPL FFTW discovery because there is a undefined reference to a symbol that has been excluded in new release of ARMPL 2020-10-21 13:47:54 +02:00
Daniele Cesarini 7a65061435 Updated QE PKG version 2020-10-21 13:47:54 +02:00
Daniele Cesarini 9677b3583d Added CMake VendorFFT() 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 d3f86743fa Add vendor compiler macros. 2020-10-18 02:51:15 -04:00
Ye Luo 8ca8e83b6d Remove -qextname. Handling Fortran underscore is a mess with XL. 2020-10-18 01:57:07 -04:00
Ye Luo b0bfc607c5 Add IBM XL setting. Needs addition fix in FoX. 2020-10-18 00:07:44 -05:00
Ye Luo b0bb51b463 Add -P to cpp 2020-10-17 23:57:16 -05:00
Ye Luo ac8c0dfcf1 Use erf instead of derf to pass PGI. 2020-10-17 15:23:28 -05:00
Ye Luo 419c89bcdf Use cpp as the preprocessor for headers. 2020-10-17 14:20:12 -05:00
Ye Luo 069e303f3c Fix <=2016 ELPA detection. 2020-10-11 13:32:59 -05:00
Ye Luo 1ee757c0f4 Fix OpenMPI scalapack. 2020-10-11 09:23:43 -05:00
Ye Luo e4beae16fc Fix ELPA 2020-10-11 02:16:46 -05:00
Ye Luo 449fcf0b4a Unset _libdir in FindVENDOR. 2020-10-10 23:39:25 -05:00
Ye Luo f98bde3220 Add GNU specific setting in cmake. 2020-10-07 14:42:59 -05:00
Pietro Delugas 5b311fd404 replace -o with > in qe_preprocess_source 
for intel compiler the command
 `FC -cpp -E $(source)-o $(output)`
sends the output always to stdout.
 2020-09-29 18:11:34 +02:00
Pietro Delugas 65567619a1 adapting Cmakelist.txt files to recent changes 
and adding more files.
upflib and libbeef added as directories for now
 2020-09-29 18:11:33 +02:00
Federico Ficarelli 1f77001255 CMake source cleanup 2020-09-29 18:11:33 +02:00
Federico Ficarelli 8515fe693d Move build type selection to helpers 2020-09-29 18:11:33 +02:00
Federico Ficarelli 6586a64209 Move pkconfig stuff to /cmake/ subdir 2020-09-29 18:11:33 +02:00
Federico Ficarelli cc3dbb32e4 Add tentative flag preset for native builds with PGI 2020-09-29 18:11:33 +02:00
Federico Ficarelli c9988d52d3 Exclude global targets from dependency graphs 2020-09-29 18:11:33 +02:00
Federico Ficarelli 4853fe5cd4 Add qe helper to preprocess explicitly fortran sources 2020-09-29 18:11:33 +02:00
Federico Ficarelli d3d170d838 Add global defs to LAX fortran preprocessed headers 2020-09-29 18:11:33 +02:00
Federico Ficarelli 4d2c28ee04 Streamline management of global compile definitions 2020-09-29 18:11:33 +02:00
Federico Ficarelli f37c4fe2bc Simplify preprocess flag detection 2020-09-29 18:11:33 +02:00
Federico Ficarelli 921853902e Update build system to latest changes from upstream 2020-09-29 18:11:33 +02:00
Daniele Cesarini b43d0ffbbe Added cmake to generate the manuals 2020-09-29 18:11:33 +02:00