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683 Commits

Author SHA1 Message Date
Ye Luo d2009b1f22 Remove ENABLE_OFFLOAD_CLANG_DEBUG_O3 option in CMake and raise Clang minimal version to 16 for offload. 2024-08-14 16:44:24 -05:00
Ye Luo 3980c22e26 Allow ahead-of-time compilation for oneapi compilers. 2024-06-26 19:30:26 -05:00
Ye Luo e7ad6d24c9 Restrict memory association workaround to hip<5.5 2024-06-10 16:12:19 -05:00
Shiv Upadhyay c852f32eac Remove vestigial FCIQMC option 2024-05-16 11:06:44 -04:00
Ye Luo bc29e313b1 Update sunspot recipe and suppress CMake warning. 2024-03-29 17:23:01 +00:00
Ye Luo b5e485d118 Add more compilation tests in CMake. 2023-12-13 13:57:28 -06:00
Ye Luo 8c26df12d0 Raise CMake minimum to 3.21. 2023-12-02 11:21:04 -06:00
Ye Luo 53ffe94769 Check compilers before handling MPI. 2023-11-14 19:12:18 -06:00
Ye Luo 17e3a2d901 Move comments. 2023-10-23 14:47:27 -05:00
Peter Doak 1c0d22a128 only do OMP_TESTLOOP test if QMC_OMP is true 2023-10-23 14:56:23 -04:00
Paul R. C. Kent d06fd1f817
Set development version 3.17.9 2023-08-25 10:17:15 -04:00
Paul Kent 610dfe3f84 Update changelog and version 2023-08-24 14:48:43 -04:00
Paul R. C. Kent 53bee1aae2
Add comment 2023-08-24 10:28:26 -04:00
Paul Kent a1e64c2b5b Update HDF5 detection 2023-08-23 21:51:20 -04:00
Paul R. C. Kent 08cb9a454c
Set development version 2023-08-18 18:39:21 -04:00
Paul Kent 91a018a0d0 Increase version number 2023-08-18 12:55:29 -04:00
Ye Luo 6c5d36f9f6 Introduce QMC_DISABLE_HIP_HOST_REGISTER. ON by default. 2023-07-14 14:37:56 -05:00
Ye Luo 78e7817c12 Detect amdgpu using gfx instead amdgcn. 2023-03-13 18:27:42 -05:00
Ye Luo b398957d00 Update GNU/NVHPC offload handling in CMake. 2023-03-12 01:08:33 -06:00
Ye Luo 2441f2a6a4 Introduce QMC_GPU_ARCHS 2023-03-12 00:08:03 -06:00
Ye Luo 629ba459bd Cleanup remaining QMC_CUDA 2023-03-05 21:41:19 -06:00
Paul R. C. Kent 66cc7c9421
More guidance in error message 2023-02-01 12:09:10 -05:00
Ye Luo 017b987899 Update high level CMake QMC_CUDA. 2023-02-01 01:02:27 -06:00
Paul R. C. Kent 042f207367
Set development version 3.16.9 2023-01-31 14:39:12 -05:00
Paul Kent 211d10e781 Set 3.16.0, update changelog 2023-01-30 16:31:47 -05:00
Ye Luo 9db115b2b0 Move openmp compiler check as the first compiler check. 2023-01-29 12:38:12 -06:00
Ye Luo 4a3ba892cb
Merge branch 'develop' into check-openmp-support 2023-01-29 12:27:57 -06:00
Paul R. C. Kent c95b43cd43
Expand guidance and description 2023-01-29 12:50:39 -05:00
Paul R. C. Kent 46ec1d4701
More guidance 2023-01-27 14:11:15 -05:00
Philip Fackler b348141e68 Check for OpenMP compiler support 
Added find_package call and meaningful error message.
 2023-01-27 13:40:15 -05:00
Paul R. C. Kent df21a097b3
Additional explanation 2023-01-27 13:23:38 -05:00
Philip Fackler 5f97b147d1 Add check for using parallel hdf5 in non-mpi build 
Added check for when MPI is disabled but the parallel hdf5 library was
found. This results in an error due to incompatibility.
 2023-01-27 12:44:49 -05:00
Ye Luo dfd8081e80 Require cmake 3.20 when using Intel oneAPI compilers. 2023-01-07 14:56:41 -06:00
Ye Luo 336a4f87c7 Reduce warning on sycl code. 2023-01-04 10:41:54 -06:00
Steven Hahn 1149e83c7c Set minimum version in find_package 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-12-01 12:55:58 -05:00
Steven Hahn ea371e4279 set H5_USE_110_API 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-12-01 12:55:58 -05:00
Steven Hahn 131d8d3737 Set H5_USE_18_API 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-12-01 12:55:58 -05:00
Ye Luo 84abc529dd Trap outdated HIP_ARCH option. 2022-11-29 15:54:44 -05:00
Ye Luo 735f64f7f8 Look for the hip runtime and libraries next to the compiler by default 2022-11-28 15:57:40 -06:00
Ye Luo ef7b5ada8b Still need to supply hip::xxx 2022-11-18 22:21:01 -06:00
Ye Luo 2052aa5705 Merge branch 'develop' into cmake_hip_language 2022-11-15 09:28:05 -06:00
Paul R. C. Kent 44e9e2f3d7
Set development version 3.15.9 2022-09-29 08:06:44 -04:00
Paul Kent 59ac5187bc Increase versio number 2022-09-26 09:45:01 -04:00
Ye Luo 917ca89f00 Directly set c++17 for nvcc. 2022-09-19 17:45:55 -05:00
Ye Luo 2a344b5278 Keep RUNPATH at installation. 2022-08-18 10:47:05 -05:00
Steven Hahn e0ecc9746e Remove macro HAVE_LIBHDF5 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-08-09 10:30:19 -04:00
Ye Luo e41d7b87da Math::XXX should not be exposed in modules 2022-08-05 00:00:10 -05:00
Jeongnim Kim ab49478760 Prepare a PR to Ye. 2022-07-14 07:52:15 -07:00
Ye Luo 0dfb393985 Minor fix 2022-06-29 13:31:11 -05:00
Ye Luo 0a60b8e69e Merge remote-tracking branch 'origin/develop' into cmake_hip_language 2022-06-29 00:42:52 -05:00