acb5fd2ebf
Simplify GenerateBinaryHeader utility
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The function implementation was incomplete for handling the case
of multiple files. It would generate wrong C code in case more than
one files were specified. Since we don't have this use case, it's
safe to only leave the single input file implementation.
Closes issue #2294
2020-09-20 18:24:43 -04:00
51957a6219
fix merge conflict
2020-09-18 19:49:36 -04:00
3275419872
Allow Colvars to include headers from the LAMMPS source directory
2020-09-17 14:37:26 -04:00
e839fe0d30
Merge branch 'master' into collected-small-changes
2020-09-16 23:53:29 -04:00
b96512171c
set -DCOLVARS_LAMMPS when compiling colvars library
2020-09-16 23:52:06 -04:00
4e304177a1
Merge pull request #2356 from giacomofiorin/colvars-update
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Update Colvars to version 2020-07-07
2020-09-16 23:37:02 -04:00
85d36ad6c4
Condense export of debug macro
2020-09-16 17:28:28 -04:00
d43cb34c70
Support debugging flag for Colvars via CMake
2020-09-09 18:19:29 -04:00
8fb13f4fd1
cmake: make doc more consistent
2020-09-08 09:43:21 -06:00
09b8b117fc
cmake: consistent usage of find variable
2020-09-08 09:35:45 -06:00
90c13b1b14
update build files for plumed 2.6.1 release
2020-09-04 11:44:39 -04:00
60b98f6b91
Require libzstd>=1.4 for Zstd dump styles
2020-09-01 13:52:56 -04:00
31bd76efa5
Merge remote-tracking branch 'origin/master' into zstd_support
2020-09-01 12:58:41 -04:00
3db1a6d690
Use PkgConfig to find Zstd
2020-09-01 11:14:36 -04:00
0925fc822d
Make Zstd support optional
2020-08-31 18:21:58 -04:00
5623009962
arch 3.0 is dropped in CUDA 11
2020-08-30 13:12:42 +03:00
d40b658644
cmake: update kokkos version/checksum
2020-08-26 10:05:14 -06:00
0d8454ac25
First version of Zstd dump atom
2020-08-25 23:27:42 -04:00
8e74d5ad02
Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
2020-08-18 21:29:43 -04:00
aa82608142
print warning for unknown/unsupported CUDA versions
2020-07-15 11:28:33 -04:00
a082895b90
update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11
2020-07-15 11:08:06 -04:00
66271448ae
Merge pull request #2167 from Vsevak/master
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Update GPU CMake and Makefile scripts for ROCm v3.5
2020-06-26 13:43:32 -04:00
cd6de39319
whitespace
2020-06-25 15:35:25 -04:00
723b9e6760
Try to keep compatibility with deprecated ROCm hcc compiler
2020-06-20 15:17:54 +03:00
2ea5d9956a
find_package is unnecessary for rocprim
2020-06-19 00:01:03 +03:00
d3baa414d2
Fix cmake for GPU ROCm 3.5 backend
2020-06-17 23:33:16 +03:00
2d52a09d08
patch the source code to the ScaFaCoS lib with a proper fix instead of working around it with compiler flags
2020-06-17 13:01:29 -04:00
34e46cc336
add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0
2020-06-17 07:41:00 -04:00
b5ee87697a
workaround for GNU Fortran 10 and later when compiling downloaded ScaFaCoS lib
2020-06-15 10:59:32 -04:00
6891fa2610
update a few URLs to use https: instead of http:
2020-06-10 12:34:09 -04:00
78f030a07a
test for *cubin.h files in lib/gpu that conflict with cmake compilation
2020-06-09 07:32:49 -04:00
58ca1dcf8e
Merge pull request #2094 from akohlmey/collected-small-changes
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Collected small changes and bug fixes for the next patch release
2020-05-20 14:33:34 -04:00
48a9e0d732
consolidate setting CMake policy CMP0074 into main cmake file
2020-05-19 15:20:41 -04:00
16db223d03
update test for whether to set CMake policy CMP0074 is needed.
2020-05-19 11:53:47 -04:00
6f0a56c176
cmake: fftw is now a private dep
2020-05-15 13:42:51 -06:00
3b77546eb9
Merge pull request #2069 from junghans/latte_v1.2.2
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latte: bump to v1.2.2
2020-05-07 14:27:19 -04:00
66994562e6
cmake: bump kokkos to v3.1.01
2020-05-05 11:46:09 -06:00
fe62e1dbc9
latte: bump to v1.2.2
2020-05-05 10:51:11 -06:00
71ab9dc02b
Merge pull request #2049 from rbberger/singularity_container_update
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Singularity container update
2020-05-04 17:27:54 -04:00
fdb4ba51da
add patch to VORONOI package external build so it will compile with BSD make
2020-05-03 04:04:02 -04:00
696308a760
set cmake policy to honor HDF5_ROOT and NETCDF_ROOT. search for parallel NetCDF only with parallel builds
2020-04-29 22:39:33 -04:00
1adda03202
cmake: only install shared lib and friends
2020-04-29 18:06:33 -06:00
ef3e071067
GPU.cmake: localize hackery
2020-04-28 07:43:31 -06:00
6be36196da
explicitly include STUBS MPI headers for serial compile since we seem to pick up the OpenMP ones otherwise
2020-04-28 01:36:21 -04:00
705c10ef47
restore original command
2020-04-28 01:12:49 -04:00
d3017744a9
updates for building with hip
2020-04-28 00:39:11 -04:00
29d667721a
tweak GPU.cmake so that hip_get_devices compiles and links
2020-04-27 22:29:41 -04:00
5006c2c329
Merge branch 'latte_super_build' of github.com:junghans/lammps into collected-small-changes
2020-04-27 21:19:45 -04:00
74e8505a1f
Merge branch 'master' into collected-small-changes
2020-04-27 16:57:47 -04:00
0f28e0eb0f
Merge pull request #2030 from lammps/revert-2018-cmake_kim-api_find
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Revert "cmake: move kim-api detection to cmake config"
2020-04-27 16:16:55 -04:00
