TREX
/
qmckl
mirror of https://github.com/TREX-CoE/qmckl.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity
1,306 Commits 16 Branches 9 Tags 86 MiB
Commit Graph

109 Commits

Author SHA1 Message Date
Anthony Scemama 8c5ec872ed CHange version 2024-04-10 16:38:10 +02:00
Anthony Scemama 6bf9388a4e Added control of precision in AOs 2023-11-28 17:00:39 +01:00
Anthony Scemama 063aada9e4 Added --with-icx 2023-11-28 12:44:35 +01:00
Anthony Scemama 5d8dfacffe Bump version to 0.5.4 2023-10-06 11:35:02 +02:00
Anthony Scemama a7523fbf77 Now using posix_memalign 2023-10-06 11:33:33 +02:00
Anthony Scemama 5118359099 Bump version 2023-09-26 17:37:17 +02:00
Anthony Scemama 46785ddb7e Fixing IVDEP CI 2023-09-15 10:23:29 +02:00
Anthony Scemama 42222f73a5 Merge olympe2:qmckl 2023-09-14 11:01:13 +02:00
Anthony Scemama 6919e16f9a Update version to 0.5.2 2023-09-14 11:01:08 +02:00
Anthony Scemama 561373fe4f Improved configure for nvc 2023-09-14 11:00:24 +02:00
Anthony Scemama 2291103a9b Merge branch 'master' of github.com:TREX-CoE/qmckl 
Conflicts:
	org/qmckl_sherman_morrison_woodbury.org
 2023-09-14 09:43:59 +02:00
Anthony Scemama fd2addb370 Added IVDEP and ALIGNED in configure.ac 2023-09-14 09:41:15 +02:00
Anthony Scemama 3db1765cdb Reduced OMP stack size 2023-09-13 13:23:16 +02:00
Anthony Scemama ecc19af2ba Remove GPU from configure 2023-08-31 17:31:27 +02:00
Anthony Scemama 5d1373a2fb Version 0.4.1 2023-08-29 11:26:16 +02:00
Anthony Scemama db13db8afa Enable FPE tracking 2023-06-29 15:56:11 +02:00
Anthony Scemama 92705b7c87 Debugging Jastrow 2023-05-22 19:15:17 +02:00
Francois Coppens 2e45927e04 Added AVX2 detection to autoconfig script. 
Fixed minor SIMD bug in tests.
 2023-01-30 17:35:11 +01:00
Anthony Scemama 9a779f2a94 Avoid SIMD length=127 2023-01-30 16:25:02 +01:00
Anthony Scemama f1bffe274b Fix #95 2023-01-25 11:02:36 +01:00
Anthony Scemama 4616467c4e Added SIMD_LENGTH detection 2023-01-17 15:40:00 +01:00
Anthony Scemama 088bca96f3 Fix maintainer mode 2022-11-24 16:21:11 +01:00
Anthony Scemama ca22f0c277 Maintainer mode file 2022-11-24 16:17:47 +01:00
Anthony Scemama 3a3b03b2ce Cleaning configure 2022-10-20 15:44:11 +02:00
Anthony Scemama 245220211b configure --without-python 2022-10-13 15:49:45 +02:00
Anthony Scemama 1c5713f2f6 Add options for PGCC and PGF90 compilers 2022-10-13 10:30:56 +02:00
Anthony Scemama fe0ad737d8 Make --with-openmp default 2022-10-07 09:36:06 +02:00
Anthony Scemama 0def40720d Fixed --enable-hpc 2022-10-06 22:39:35 +02:00
Anthony Scemama 5a0038e96f Trying to fix pkgconfig 2022-10-06 10:26:49 +02:00
Anthony Scemama c66be3602a debug flags 2022-10-06 10:22:59 +02:00
Anthony Scemama de6b2d27f3 Fix bug in configure 2022-09-28 18:00:16 +02:00
Anthony Scemama 5c62bc1c71 Added --disable-doc to configure 2022-09-28 17:52:33 +02:00
Aurelien Delval eab4e56c18 Add the Verificarlo probes library to LDFLAG 2022-09-27 14:09:34 +00:00
Aurelien Delval f10a2fe91e Modify the vfc_ci wrapper and its config 
- init and dump have to be called manually
- Few config changes to fix CI
 2022-09-27 13:37:06 +00:00
Anthony Scemama 858bdbf7f4 Cleaned qmckl_dgemm integration 2022-09-22 16:43:57 +02:00
Anthony Scemama 8c388a93b7 Improve configure 2022-09-22 13:56:52 +02:00
Anthony Scemama eba2873316 Clean configure file 2022-09-22 13:37:29 +02:00
v1j4y e0513e6d4a Configure script for qmckl_dgemm. 2022-08-09 16:01:26 +02:00
Anthony Scemama a2b4e515e8 Bump version to 0.3.1 2022-08-07 16:01:03 +02:00
q-posev 9ec3d19777 Add AddressSanitizer to the debug configure 2022-07-11 10:20:50 +02:00
Anthony Scemama 49e535feb9 Moved python in Makefile.am 2022-06-29 10:34:26 +02:00
Anthony Scemama e00e034497 Merge branch 'master' into add-python-api 2022-05-20 19:19:42 +02:00
Anthony Scemama d1e88ad475 Fixed efence compilation 2022-05-06 11:29:46 +02:00
q-posev 0ea5405004 Add SWIG and pyqmckl ingredients for Autotools 2022-05-03 16:48:27 +02:00
Aurelien Delval 69009900f7 Revert cuBLAS to old config 2022-04-08 11:37:37 +02:00
Aurelien Delval ad531dddf9 Configure cuBLAS with --enable-gpu and clean code 2022-04-08 11:11:15 +02:00
Anthony Scemama 07cc64bb31 Changed enable-cublas into with-cublas 2022-04-08 10:32:38 +02:00
Anthony Scemama 47d63aa9d3 Fix cublas 2022-04-07 17:02:36 +02:00
Anthony Scemama 6c7634038f Improve configure 2022-04-06 13:48:37 +02:00
Anthony Scemama 0d5d14b8e4 Fix openacc 2022-04-06 11:51:36 +02:00