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ca22f0c277
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Maintainer mode file
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2022-11-24 16:17:47 +01:00 |
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3a3b03b2ce
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Cleaning configure
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2022-10-20 15:44:11 +02:00 |
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245220211b
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configure --without-python
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2022-10-13 15:49:45 +02:00 |
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1c5713f2f6
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Add options for PGCC and PGF90 compilers
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2022-10-13 10:30:56 +02:00 |
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fe0ad737d8
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Make --with-openmp default
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2022-10-07 09:36:06 +02:00 |
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0def40720d
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Fixed --enable-hpc
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2022-10-06 22:39:35 +02:00 |
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5a0038e96f
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Trying to fix pkgconfig
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2022-10-06 10:26:49 +02:00 |
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c66be3602a
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debug flags
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2022-10-06 10:22:59 +02:00 |
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de6b2d27f3
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Fix bug in configure
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2022-09-28 18:00:16 +02:00 |
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5c62bc1c71
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Added --disable-doc to configure
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2022-09-28 17:52:33 +02:00 |
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Aurelien Delval
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eab4e56c18
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Add the Verificarlo probes library to LDFLAG
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2022-09-27 14:09:34 +00:00 |
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Aurelien Delval
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f10a2fe91e
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Modify the vfc_ci wrapper and its config
- init and dump have to be called manually
- Few config changes to fix CI
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2022-09-27 13:37:06 +00:00 |
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858bdbf7f4
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Cleaned qmckl_dgemm integration
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2022-09-22 16:43:57 +02:00 |
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8c388a93b7
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Improve configure
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2022-09-22 13:56:52 +02:00 |
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eba2873316
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Clean configure file
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2022-09-22 13:37:29 +02:00 |
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v1j4y
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e0513e6d4a
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Configure script for qmckl_dgemm.
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2022-08-09 16:01:26 +02:00 |
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a2b4e515e8
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Bump version to 0.3.1
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2022-08-07 16:01:03 +02:00 |
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9ec3d19777
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Add AddressSanitizer to the debug configure
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2022-07-11 10:20:50 +02:00 |
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49e535feb9
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Moved python in Makefile.am
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2022-06-29 10:34:26 +02:00 |
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e00e034497
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Merge branch 'master' into add-python-api
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2022-05-20 19:19:42 +02:00 |
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d1e88ad475
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Fixed efence compilation
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2022-05-06 11:29:46 +02:00 |
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0ea5405004
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Add SWIG and pyqmckl ingredients for Autotools
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2022-05-03 16:48:27 +02:00 |
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Aurelien Delval
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69009900f7
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Revert cuBLAS to old config
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2022-04-08 11:37:37 +02:00 |
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Aurelien Delval
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ad531dddf9
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Configure cuBLAS with --enable-gpu and clean code
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2022-04-08 11:11:15 +02:00 |
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07cc64bb31
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Changed enable-cublas into with-cublas
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2022-04-08 10:32:38 +02:00 |
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47d63aa9d3
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Fix cublas
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2022-04-07 17:02:36 +02:00 |
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6c7634038f
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Improve configure
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2022-04-06 13:48:37 +02:00 |
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0d5d14b8e4
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Fix openacc
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2022-04-06 11:51:36 +02:00 |
|
2323
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72fad819bf
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Fix flags
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2022-04-06 10:03:56 +02:00 |
|
2323
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f02e761b79
|
Fixed configure.ac for GPUs
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2022-04-05 19:31:11 +02:00 |
|
2323
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08f01ece89
|
Fix configure
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2022-04-05 17:57:56 +02:00 |
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0489831e18
|
Simplified configure
|
2022-04-05 17:06:29 +02:00 |
|
Aurélien Delval
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0e43d33a1d
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Merge branch 'gpu' into master
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2022-04-05 11:39:16 +02:00 |
|
hoffer
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508b294190
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Fix flag for nvc and nvfortran
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2022-04-05 10:07:25 +02:00 |
|
hoffer
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31a05c47e2
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Add flags for nvc and nvfortran to support offload
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2022-04-04 12:41:00 +02:00 |
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bac1eb33f0
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Fixed configure for Nvidian compilers
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2022-04-04 12:11:26 +02:00 |
|
Aurélien Delval
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1173bb2586
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Update configure.ac with cuBLAS support
(forgotten in last commit)
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2022-04-01 17:56:27 +02:00 |
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Aurelien Delval
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99306473a4
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Start OpenACC implementation in Jastro, including compute_dtmp_c
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2022-03-30 09:01:32 +02:00 |
|
Aurelien Delval
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383c6ac78a
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Add OFFLOAD_FLAGS, OFFLOAD_CFLAGS and OFFLOAD_FCFLAGS vars to configure
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2022-03-28 07:58:01 +02:00 |
|
Aurélien Delval
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79d4cf130b
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Add detection of configure arguments to enable GPU offloading
As of now, only OpenMP offload will be implemented as a test.
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2022-03-24 10:06:25 +01:00 |
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9124c9209a
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Merge branch 'master' of github.com:TREX-CoE/qmckl
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2022-03-11 13:16:48 +01:00 |
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9eef4e8c12
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Compiling options with gcc
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2022-02-25 16:39:44 +01:00 |
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d919c53c42
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Fix bug in HPC AOs
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2022-02-19 19:24:18 +01:00 |
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45e7eab963
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Fixing MacOS CI
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2022-02-17 16:08:22 +01:00 |
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39bc0fb2e8
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Fixing MacOS CI
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2022-02-17 15:49:41 +01:00 |
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e90e9a531c
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Added HPC version of polynomials
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2022-02-16 15:14:41 +01:00 |
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1c681d4d7e
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Rewrote AOs HPC in C
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2022-02-16 00:21:37 +01:00 |
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d83dad53cf
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OpenMP in HPC version
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2022-02-15 16:42:47 +01:00 |
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c8a452dc55
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Added --with-icc and --with-ifort to configure
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2022-02-15 11:10:07 +01:00 |
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dcb392c0af
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Swap indices 1..5 with points in AOs/MOs
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2022-02-11 16:07:25 +01:00 |
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