Eisuke Kawashima
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
Axel Kohlmeyer
fa7085be07
Merge pull request #1930 from giacomofiorin/remove-lepton-cxx11-check
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Remove now unneeded check for C++11 in Lepton CMake build
2020-03-12 13:09:44 -04:00
Giacomo Fiorin
de6d1efe7a
Remove now unneeded check for C++ standard in Lepton CMake build
2020-03-12 10:33:48 -04:00
Eisuke Kawashima
8af9d40392
Update DOI resolver
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https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
2020-03-12 16:53:24 +09:00
Axel Kohlmeyer
d2986b7495
update CMake presets
2020-03-09 11:04:26 -04:00
Axel Kohlmeyer
a0fb7c812c
Merge branch 'master' into collected_small_fixes
2020-03-09 10:53:42 -04:00
Axel Kohlmeyer
a6086c279b
rename USER-MESO package to USER-MESODPD and update related files and folders
2020-03-09 09:48:49 -04:00
Axel Kohlmeyer
45902772b7
Merge branch 'minimizer' of github.com:yafshar/lammps into collected_small_fixes
2020-03-09 09:15:40 -04:00
Axel Kohlmeyer
980ef8095a
include USER-REACTION in "most" preset
2020-03-05 22:57:17 -05:00
Jacob Gissinger
21f2ec3a25
Merge branch 'master' into bond/react-new-examples-and-package
2020-03-05 20:08:19 -07:00
Axel Kohlmeyer
1fb54c307c
Merge pull request #1918 from akohlmey/collected-small-fixes
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Collected small fixes for the next patch
2020-03-05 15:16:50 -05:00
Axel Kohlmeyer
0fba0b1bc1
handle empty build type
2020-03-05 14:39:40 -05:00
Axel Kohlmeyer
b0c6641f1b
tweak compiler flags for Intel and GNU
2020-03-05 10:16:38 -05:00
Axel Kohlmeyer
1642bf5afc
always skip deprecated C++ MPI interface
2020-03-05 10:16:21 -05:00
Axel Kohlmeyer
ec87a51a61
put C++11 compliance check into CMake
2020-03-04 14:52:38 -05:00
Axel Kohlmeyer
a972850b39
require CMake version 3.10. remove tests for older versions.
2020-03-04 14:28:33 -05:00
Axel Kohlmeyer
5a8eaed13b
Update handling of USER-QMMM package in CMake scripts. minor cosmetic changes
2020-02-20 14:39:53 +01:00
jrgissing
ec887b37da
Merge branch 'master' of https://github.com/lammps/lammps into bond/react-new-examples-and-package
2020-02-17 21:34:20 -07:00
Axel Kohlmeyer
4cacc4701d
update plumed support to include version 2.6.0. Fix bug in API check
2020-02-13 16:03:58 +01:00
Axel Kohlmeyer
795f2fd894
properly support threaded FFTs with MKL and document it. remove commented out FFTW2 code
2020-01-27 11:00:57 -05:00
Axel Kohlmeyer
f14b200b6a
correct KOKKOS FFT output for CMake summary one more time
2020-01-23 00:27:00 -05:00
Axel Kohlmeyer
c126df4f79
update KOKKOS FFT status message in CMake summary
2020-01-22 17:08:58 -05:00
Axel Kohlmeyer
53554fdb84
add -DFFT_CUFFT for KOKKOS only when KISSFFT is not selected
2020-01-22 16:56:12 -05:00
Axel Kohlmeyer
9a27aa4e9e
Merge branch 'master' into fft
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# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
2020-01-22 15:21:08 -05:00
Christoph Junghans
392b32ef6f
cmake: fix warning about chain.x
2020-01-14 14:26:28 -07:00
Axel Kohlmeyer
15603e0ff7
add documentation for including cufft with KOKKOS+CUDA (for conventional build, CMake is automatic)
2020-01-12 21:46:02 -05:00
Axel Kohlmeyer
3784df23f0
use FFT_FFTW_THREADS consistently, add CUFFT to CMake, minor improvements
2020-01-12 21:32:07 -05:00
Axel Kohlmeyer
7cb36d1705
Merge branch 'master' into fft
2020-01-12 20:22:15 -05:00
jrgissing
683d6ce9b3
'install' USER-REACTION package
2020-01-09 21:11:30 -07:00
jotelha
46584d4520
Update cmake/Modules/FindPNetCDF.cmake
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Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
2020-01-07 13:26:01 +01:00
jotelha
24ef36dd4d
Update cmake/Modules/FindPNetCDF.cmake
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Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
2020-01-07 13:25:54 +01:00
jotelha
3f24144abd
Update cmake/Modules/FindPNetCDF.cmake
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Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
2019-12-22 13:25:24 +01:00
jotelha
0c7d6a01e8
Update cmake/Modules/FindNetCDF.cmake
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Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
2019-12-22 13:25:08 +01:00
jotelha
4e7bcee8e3
Update cmake/Modules/FindNetCDF.cmake
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Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
2019-12-22 13:24:34 +01:00
Johannes Hörmann
c8a53d560a
Find parallel NetCDF with cmake for USER-NETCDF
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Conflicts:
cmake/presets/forhlr2-gnu.cmake
2019-12-20 17:59:05 +01:00
Stan Moore
c169e88268
Update from master
2019-12-13 16:42:05 -07:00
Richard Berger
1f9f85e798
Mark LMP_NO_SSL_CHECK and LMP_DEBUG_CURL as advanced options
2019-12-12 14:17:32 -05:00
Yaser Afshar
b0d0037f50
Certificate Verification
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if SSL report an error ("certificate verify failed") during the
handshake and thus refuses further communication with that server,
you can specify your own CA cert path by setting the environment
variable CURL_CA_BUNDLE to the path of your choice.
2019-12-12 12:57:34 -06:00
Richard Berger
19b265f845
Update CMake-based doc build
2019-11-16 23:57:12 -05:00
Axel Kohlmeyer
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
Axel Kohlmeyer
6767fa5604
update supported plumed library to version 2.5.3
2019-10-20 16:27:32 -04:00
Axel Kohlmeyer
f4fcd2a911
flag that MESSAGE package is not compatible with -DLAMMPS_BIGBIG
2019-10-19 09:50:07 -04:00
Axel Kohlmeyer
7358a3ce06
mirror changes to conventional build to forcibly enable c++11 for intel compilers
2019-10-18 18:34:39 -04:00
Axel Kohlmeyer
108b9a0a36
USER-MOLFILE cannot be configured with CMake 2.8.12, requiring 3.10.
2019-10-17 06:33:13 -04:00
Axel Kohlmeyer
9a4f208e4e
need to enable C compilation to detect BLAS/LAPACK on CMake 2.8.12
2019-10-17 06:32:35 -04:00
Axel Kohlmeyer
68adc56e93
Merge branch 'master' into fix-compiler-warnings
2019-10-17 06:03:59 -04:00
Axel Kohlmeyer
e4c77f047f
document COLVARS_LEPTON flag to CMake configuration
2019-10-16 16:19:12 -04:00
Axel Kohlmeyer
437c0e59f2
Merge pull request #1724 from lammps/lepton-cxx11-handling
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Upgrade Lepton library, handle its C++11 requirement
2019-10-16 21:11:00 +02:00
Giacomo Fiorin
2c9ae7ab4b
Add -DCOLVARS_LEPTON, track user's choice via DISABLE_CXX11_REQUIREMENT
2019-10-16 08:35:37 -04:00
Axel Kohlmeyer
4aa47386ea
make handling of (temporary) C++11 check disabling define behave consistent across CMake versions
2019-10-15 18:42:59 -04:00