fc7b1dc4fd
Merge branch 'cmake_enable_chain.x' of github.com:junghans/lammps into cmake_enable_chain.x
2020-05-05 11:27:40 -04:00
b933538dfa
tweak tbbmalloc search path for intel 19.1 compiler
2020-05-05 11:27:19 -04:00
8a114fca97
cmake: include where it is used
2020-05-05 08:53:49 -06:00
9708b58939
check for fortran instead of directly enabling it
2020-05-05 10:41:18 -04:00
bcd50646b4
don't enable fortran if the generator does not support it.
2020-05-05 10:23:04 -04:00
b5af7da2c6
cmake: enable Fortran before checking for the compiler
2020-05-05 07:10:42 -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
61284891ee
add a few more packages to the "most" preset
2020-05-03 05:04:07 -04:00
f1e1644fe1
fix typo that resulted in LAPACK not being properly linked with USER-ATC
2020-05-03 04:55:25 -04:00
d811fd0da7
skip building chain.x, if no Fortran compiler is available
2020-05-03 04:23:52 -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
f5be3ccab4
add the check for MPI in USER-ATC at the correct location
2020-05-03 03:06:41 -04:00
863b50501c
port MPI stubs workaround to USER-ATC
2020-05-03 02:49:52 -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
600d357155
cmake: disable installing of static libs
2020-04-29 16:26:56 -06:00
ef3e071067
GPU.cmake: localize hackery
2020-04-28 07:43:31 -06:00
24fe5bc187
cmake: reenable CMAKE_TUNE_FLAGS check
2020-04-28 06:03:34 -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
d931365e4e
fix typos
2020-04-28 01:11:54 -04:00
d3017744a9
updates for building with hip
2020-04-28 00:39:11 -04:00
b362a06ca3
(temporarily) disable CMAKE_TUNE_FLAGS verification script code
2020-04-27 23:17:43 -04:00
dd5ebb0a81
add preset to compile with hcc
2020-04-27 22:30:17 -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
0a9bed0ca6
Merge branch 'cmake_clean_up_plumed' of github.com:junghans/lammps into collected-small-changes
2020-04-27 16:07:52 -04:00
281c105a34
KIM.cmake: add workaround for <cmake-3.12
2020-04-26 12:02:18 -06:00
d092b24c2e
Revert "cmake: move kim-api detection to cmake config"
2020-04-26 11:56:48 -06:00
9a5b7141af
move MPI compilation variable definitions workaround to MPI4WIN.cmake
2020-04-26 00:14:27 -04:00
e5360bb68a
Merge remote-tracking branch 'github/cmake_latte_link_fix' into collected-small-changes
2020-04-25 23:07:58 -04:00
758a27c1e7
update MPI detection and handling of MPI to not automatically assume that a windows target means cross-compiling
2020-04-25 22:06:36 -04:00
7fd50045fe
USER-PLUMED: remove unused defines
2020-04-25 10:16:58 -06:00
5308b00c7b
Update LATTE.cmake
2020-04-25 07:28:16 -06:00
bac681b9dc
cmake: fix linkage against external latte
2020-04-24 20:51:58 -06:00
72ff0dd87d
Merge pull request #2004 from stanmoore1/kk_3.1
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Update Kokkos library in LAMMPS to v3.1
2020-04-24 18:35:53 -04:00
4890c328d9
add comment to trigger jenkins rerun
2020-04-24 13:21:38 -04:00
68dd6d0f19
cmake: move kim-api detection to cmake config
2020-04-23 09:20:38 -06:00
623f03e322
cmake: add support for latte super-build
2020-04-22 14:21:34 -06:00
0f9d8efe69
state in external Kokkos error message the version 3.1 or later is required
2020-04-21 12:50:27 -04:00
8c54507371
forward Kokkos library variables from CMake configuration for LAMMPS to the downloaded Kokkos library build
2020-04-16 16:46:27 -04:00
850bee2331
update KOKKOS.cmake for Kokkos 3.1. no more patch needed.
2020-04-16 15:39:53 -04:00
bc3fe80b28
Merge pull request #1997 from giacomofiorin/lepton-windows-defines
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Defines to build and link the Lepton library with MSVC
2020-04-15 15:56:48 -04:00
f5733ccd75
Merge pull request #1978 from evoyiatzis/class2_cs
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core-shell version of pair_style lj/class2/coul/long
2020-04-14 22:59:46 -04:00
567147cf78
rename DEFAULT_PACKAGES to STANDARD_PACKAGES and ACCEL_PACKAGES to SUFFIX_PACKAGES for clarity
2020-04-14 22:37:39 -04:00
e5842e9236
must handle CORESHELL as ACCEL_PACKAGE because of the dependency tracking
2020-04-14 22:34:07 -04:00
8daf0c56d2
Merge pull request #1996 from lammps/junghans_more_cmake_cleanup
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cmake: improve exported target
2020-04-14 21:25:12 -04:00
0afa9e60f9
Fix installation of lammps.py with CMake
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In CMake 3.10 the PythonInterp module defined PYTHON_EXECUTABLE. Since CMake
3.12 the Python module defines Python_EXECUTABLE.
Since the rest of the code was using PYTHON_EXECUTABLE and expecting it to be
defined, no matter which version, in newer versions of CMake this would lead to
lammps.py not being installed at all.
This commit changes the LAMMPS CMake files to use the newer variable name and
sets Python_EXECUTABLE in older versions if needed.
2020-04-14 17:45:49 -04:00
