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BUGFIX: update ML_PACE library version (that fix compilation issue with nvcc)

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extra update doc/src/pair_pace.rst
This commit is contained in:
Yury Lysogorskiy
2023-01-31 21:08:32 +01:00
parent 4cb29ce413
commit 83b578f604
3 changed files with 5 additions and 5 deletions
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4
cmake/Modules/Packages/ML-PACE.cmake
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@ -1,6 +1,6 @@
set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.01.3.tar.gz" CACHE STRING "URL for PACE evaluator library sources") set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.01.3.fix.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
set(PACELIB_MD5 "f418d32b60e531063ac4285bf702b468" CACHE STRING "MD5 checksum of PACE evaluator library tarball") set(PACELIB_MD5 "4f0b3b5b14456fe9a73b447de3765caa" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
mark_as_advanced(PACELIB_URL) mark_as_advanced(PACELIB_URL)
mark_as_advanced(PACELIB_MD5) mark_as_advanced(PACELIB_MD5)

2
doc/src/pair_pace.rst
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@ -6,7 +6,7 @@
pair_style pace command pair_style pace command
======================= =======================
Accelerator Variants: *pace/kk* Accelerator Variants: *pace/kk*, *pace/extrapolation/kk*
pair_style pace/extrapolation command pair_style pace/extrapolation command
===================================== =====================================

4
lib/pace/Install.py
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@ -18,11 +18,11 @@ from install_helpers import fullpath, geturl, checkmd5sum
# settings # settings
thisdir = fullpath('.') thisdir = fullpath('.')
version ='v.2023.01.3' version ='v.2023.01.3.fix'
# known checksums for different PACE versions. used to validate the download. # known checksums for different PACE versions. used to validate the download.
checksums = { \ checksums = { \
'v.2023.01.3': 'f418d32b60e531063ac4285bf702b468' 'v.2023.01.3.fix': '4f0b3b5b14456fe9a73b447de3765caa'
} }
parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script") parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script")