jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
21,007 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

596 Commits

Author SHA1 Message Date
Axel Kohlmeyer 58ca1dcf8e
Merge pull request #2094 from akohlmey/collected-small-changes 
Collected small changes and bug fixes for the next patch release
 2020-05-20 14:33:34 -04:00
Axel Kohlmeyer 48a9e0d732
consolidate setting CMake policy CMP0074 into main cmake file 2020-05-19 15:20:41 -04:00
Christoph Junghans 6f0a56c176 cmake: fftw is now a private dep 2020-05-15 13:42:51 -06:00
Axel Kohlmeyer e36d2ce3e6
Do not use -ffast-math by default. Too large a chance of miscompiled code. 2020-05-14 20:48:43 -04:00
Richard Berger cbd4ce5130
Use absolute path to LAMMPS_DIR for collecting git info 2020-05-08 16:04:55 -04:00
Christoph Junghans 8a114fca97 cmake: include where it is used 2020-05-05 08:53:49 -06:00
Axel Kohlmeyer 9708b58939
check for fortran instead of directly enabling it 2020-05-05 10:41:18 -04:00
Axel Kohlmeyer bcd50646b4
don't enable fortran if the generator does not support it. 2020-05-05 10:23:04 -04:00
Christoph Junghans b5af7da2c6 cmake: enable Fortran before checking for the compiler 2020-05-05 07:10:42 -06:00
Axel Kohlmeyer f1e1644fe1
fix typo that resulted in LAPACK not being properly linked with USER-ATC 2020-05-03 04:55:25 -04:00
Axel Kohlmeyer d811fd0da7
skip building chain.x, if no Fortran compiler is available 2020-05-03 04:23:52 -04:00
Axel Kohlmeyer f5be3ccab4
add the check for MPI in USER-ATC at the correct location 2020-05-03 03:06:41 -04:00
Axel Kohlmeyer 863b50501c
port MPI stubs workaround to USER-ATC 2020-05-03 02:49:52 -04:00
Christoph Junghans 1adda03202 cmake: only install shared lib and friends 2020-04-29 18:06:33 -06:00
Christoph Junghans 600d357155 cmake: disable installing of static libs 2020-04-29 16:26:56 -06:00
Christoph Junghans 24fe5bc187 cmake: reenable CMAKE_TUNE_FLAGS check 2020-04-28 06:03:34 -06:00
Axel Kohlmeyer b362a06ca3
(temporarily) disable CMAKE_TUNE_FLAGS verification script code 2020-04-27 23:17:43 -04:00
Axel Kohlmeyer 9a5b7141af
move MPI compilation variable definitions workaround to MPI4WIN.cmake 2020-04-26 00:14:27 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer f5733ccd75
Merge pull request #1978 from evoyiatzis/class2_cs 
core-shell version of pair_style lj/class2/coul/long
 2020-04-14 22:59:46 -04:00
Axel Kohlmeyer 567147cf78
rename DEFAULT_PACKAGES to STANDARD_PACKAGES and ACCEL_PACKAGES to SUFFIX_PACKAGES for clarity 2020-04-14 22:37:39 -04:00
Axel Kohlmeyer e5842e9236
must handle CORESHELL as ACCEL_PACKAGE because of the dependency tracking 2020-04-14 22:34:07 -04:00
Axel Kohlmeyer 8daf0c56d2
Merge pull request #1996 from lammps/junghans_more_cmake_cleanup 
cmake: improve exported target
 2020-04-14 21:25:12 -04:00
Richard Berger 0afa9e60f9 Fix installation of lammps.py with CMake 
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
Christoph Junghans dcbf9f7d17 cmake: improve exported target 2020-04-14 12:16:28 -06:00
Axel Kohlmeyer 74143a3d89
Merge branch 'master' into simplify_build_choices 2020-04-13 11:02:35 -04:00
Axel Kohlmeyer 4abff7b4d3
Merge pull request #1986 from akohlmey/correct-kokkos-docs 
Update docs and CMake scripts for Kokkos 3.0+
 2020-04-13 11:01:26 -04:00
Axel Kohlmeyer 8b1c6cb279
Merge branch 'omp4-compat' into correct-kokkos-docs 2020-04-12 01:44:47 -04:00
Axel Kohlmeyer 5542ad31dc
Merge branch 'master' into simplify_build_choices 
# Conflicts:
#	cmake/Modules/Packages/GPU.cmake
 2020-04-11 21:31:07 -04:00
Axel Kohlmeyer 3fa7265ff8
modernize CMake script code and add version tests for Clang and Intel to switch to OpenMP4 semantics 2020-04-11 18:35:37 -04:00
Axel Kohlmeyer b83840c2f8
Merge remote-tracking branch 'github/junghans-CMake-typo' into correct-kokkos-docs 2020-04-10 22:29:19 -04:00
Richard Berger d2c4ade697 Add HIP_USE_DEVICE_SORT CMake option 2020-04-10 18:22:43 -04:00
Richard Berger 195e453d17 Add HIP configuration output 2020-04-10 14:24:26 -04:00
Axel Kohlmeyer 28379e145f
set using C++11 w/o extensions globally. move KOKKOS only checks to KOKKOS.cmake 2020-04-10 12:16:24 -04:00
Axel Kohlmeyer 469a4f15b7
some tweaks to simplify building the KOKKOS package and to enforce consistent behavior 2020-04-09 22:51:52 -04:00
Axel Kohlmeyer e39faf4f48
handle change in capitalization of Kokkos variables after upgrade to v3.0 2020-04-09 22:30:48 -04:00
Axel Kohlmeyer 07d31f4643
remove LAMMPS_LIB_SUFFIX variable and use LAMMPS_MACHINE instead. 
we are now always building the executable and the library and thus they should have a consistent suffix or none.
 2020-04-09 10:42:11 -04:00
Axel Kohlmeyer 32eeffe84d
Merge remote-tracking branch 'github/junghans-CMake-typo' into simplify_build_choices 2020-04-09 08:57:42 -04:00
Christoph Junghans ed0971d663
cmake: fix a typo 2020-04-09 05:44:57 -06:00
Michael Lamparski 0fa6472c51
Merge branch 'master' into omp4-compat 2020-04-08 23:13:05 -04:00
Axel Kohlmeyer f3a280a9f4
fix typo 2020-04-08 18:49:16 -04:00
Axel Kohlmeyer e5b521e011
remove BUILD_EXE and BUILD_LIB options from CMake files. we always build both. 2020-04-08 18:31:46 -04:00
Christoph Junghans d568fea7c3 cmake: derive LAMMPS_API_DEFINES from lammps target properties 2020-04-05 18:58:16 -06:00
Christoph Junghans 1b87ce04ee cmake: fix a typo 2020-04-05 15:40:15 -06:00
Christoph Junghans a77166379b cmake: remove old comment 2020-04-05 15:23:23 -06:00
Christoph Junghans 9003553384 cmake: move OpenCL handling under Windows in GPU.cmake 2020-04-05 15:12:40 -06:00
Christoph Junghans e18439f387 cmake: make more include files consistent 2020-04-05 15:03:25 -06:00
Christoph Junghans 1988a2a725 cmake: make USER-H5MD.cmake consistent 2020-04-05 14:58:54 -06:00
Christoph Junghans 9aa6d04997 cmake: move if(PKG_) out of cmake file 2020-04-05 14:57:06 -06:00
Christoph Junghans e8317b2f6b cmake: don't use PythonInterp on new cmake 2020-04-05 11:53:43 -06:00