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various minor tweaks and reformatting for CMake scripts

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This commit is contained in:
Axel Kohlmeyer
2025-02-07 20:50:14 -05:00
parent 61a2db4715
commit 6eddb3a33f
7 changed files with 77 additions and 70 deletions
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4
cmake/CMakeLists.txt
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@ -209,7 +209,7 @@ endif()
######################################################################## ########################################################################
# User input options # # User input options #
######################################################################## ########################################################################
# backward compatibility with CMake before 3.12 and older LAMMPS documentation # backward compatibility with older LAMMPS documentation
if (PYTHON_EXECUTABLE) if (PYTHON_EXECUTABLE)
set(Python_EXECUTABLE "${PYTHON_EXECUTABLE}") set(Python_EXECUTABLE "${PYTHON_EXECUTABLE}")
endif() endif()
@ -930,7 +930,7 @@ endif()
include(Testing) include(Testing)
include(CodeCoverage) include(CodeCoverage)
include(CodingStandard) include(CodingStandard)
find_package(ClangFormat 11.0) find_package(ClangFormat 11.0 QUIET)
if(ClangFormat_FOUND) if(ClangFormat_FOUND)
add_custom_target(format-src add_custom_target(format-src

6
cmake/Modules/Documentation.cmake
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@ -13,7 +13,7 @@ if(BUILD_DOC)
endif() endif()
find_package(Python3 REQUIRED COMPONENTS Interpreter) find_package(Python3 REQUIRED COMPONENTS Interpreter)
if(Python3_VERSION VERSION_LESS 3.8) if(Python3_VERSION VERSION_LESS 3.8)
message(FATAL_ERROR "Python 3.8 and up is required to build the HTML documentation") message(FATAL_ERROR "Python 3.8 and up is required to build the LAMMPS HTML documentation")
endif() endif()
set(VIRTUALENV ${Python3_EXECUTABLE} -m venv) set(VIRTUALENV ${Python3_EXECUTABLE} -m venv)
@ -65,8 +65,8 @@ if(BUILD_DOC)
find_package(Sphinx) find_package(Sphinx)
endif() endif()
set(MATHJAX_URL "https://github.com/mathjax/MathJax/archive/3.1.3.tar.gz" CACHE STRING "URL for MathJax tarball") set(MATHJAX_URL "https://github.com/mathjax/MathJax/archive/3.2.2.tar.gz" CACHE STRING "URL for MathJax tarball")
set(MATHJAX_MD5 "b81661c6e6ba06278e6ae37b30b0c492" CACHE STRING "MD5 checksum of MathJax tarball") set(MATHJAX_MD5 "08dd6ef33ca08870220d9aade2a62845" CACHE STRING "MD5 checksum of MathJax tarball")
mark_as_advanced(MATHJAX_URL) mark_as_advanced(MATHJAX_URL)
GetFallbackURL(MATHJAX_URL MATHJAX_FALLBACK) GetFallbackURL(MATHJAX_URL MATHJAX_FALLBACK)

2
cmake/Modules/Packages/ML-QUIP.cmake
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@ -37,7 +37,7 @@ if(DOWNLOAD_QUIP)
endforeach() endforeach()
# Fix cmake crashing when MATH_LINKOPTS not set, required for e.g. recent Cray Programming Environment # Fix cmake crashing when MATH_LINKOPTS not set, required for e.g. recent Cray Programming Environment
set(temp "${temp} -L/_DUMMY_PATH_\n") set(temp "${temp} -L/_DUMMY_PATH_\n")
set(temp "${temp}PYTHON=python\nPIP=pip\nEXTRA_LINKOPTS=\n") set(temp "${temp}PYTHON=${Python_EXECUTABLE}\nPIP=pip\nEXTRA_LINKOPTS=\n")
set(temp "${temp}HAVE_CP2K=0\nHAVE_VASP=0\nHAVE_TB=0\nHAVE_PRECON=1\nHAVE_LOTF=0\nHAVE_ONIOM=0\n") set(temp "${temp}HAVE_CP2K=0\nHAVE_VASP=0\nHAVE_TB=0\nHAVE_PRECON=1\nHAVE_LOTF=0\nHAVE_ONIOM=0\n")
set(temp "${temp}HAVE_LOCAL_E_MIX=0\nHAVE_QC=0\nHAVE_GAP=1\nHAVE_DESCRIPTORS_NONCOMMERCIAL=1\n") set(temp "${temp}HAVE_LOCAL_E_MIX=0\nHAVE_QC=0\nHAVE_GAP=1\nHAVE_DESCRIPTORS_NONCOMMERCIAL=1\n")
set(temp "${temp}HAVE_TURBOGAP=0\nHAVE_QR=1\nHAVE_THIRDPARTY=0\nHAVE_FX=0\nHAVE_SCME=0\nHAVE_MTP=0\n") set(temp "${temp}HAVE_TURBOGAP=0\nHAVE_QR=1\nHAVE_THIRDPARTY=0\nHAVE_FX=0\nHAVE_SCME=0\nHAVE_MTP=0\n")

11
cmake/Modules/Packages/PLUMED.cmake
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@ -40,6 +40,13 @@ mark_as_advanced(PLUMED_URL)
mark_as_advanced(PLUMED_MD5) mark_as_advanced(PLUMED_MD5)
GetFallbackURL(PLUMED_URL PLUMED_FALLBACK) GetFallbackURL(PLUMED_URL PLUMED_FALLBACK)
# adjust C++ standard support for self-compiled Plumed2
if(CMAKE_CXX_STANDARD GREATER 11)
set(PLUMED_CXX_STANDARD 14)
else()
set(PLUMED_CXX_STANDARD 11)
endif()
if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING)) if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING))
if(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86_64") if(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86_64")
set(CROSS_CONFIGURE mingw64-configure) set(CROSS_CONFIGURE mingw64-configure)
@ -55,7 +62,7 @@ if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING))
URL_MD5 ${PLUMED_MD5} URL_MD5 ${PLUMED_MD5}
BUILD_IN_SOURCE 1 BUILD_IN_SOURCE 1
CONFIGURE_COMMAND ${CROSS_CONFIGURE} --disable-shared --disable-bsymbolic CONFIGURE_COMMAND ${CROSS_CONFIGURE} --disable-shared --disable-bsymbolic
--disable-python --enable-cxx=11 --disable-python --enable-cxx=${PLUMED_CXX_STANDARD}
--enable-modules=-adjmat:+crystallization:-dimred:+drr:+eds:-fisst:+funnel:+logmfd:+manyrestraints:+maze:+opes:+multicolvar:-pamm:-piv:+s2cm:-sasa:-ves --enable-modules=-adjmat:+crystallization:-dimred:+drr:+eds:-fisst:+funnel:+logmfd:+manyrestraints:+maze:+opes:+multicolvar:-pamm:-piv:+s2cm:-sasa:-ves
${PLUMED_CONFIG_OMP} ${PLUMED_CONFIG_OMP}
${PLUMED_CONFIG_MPI} ${PLUMED_CONFIG_MPI}
@ -142,7 +149,7 @@ else()
CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
${CONFIGURE_REQUEST_PIC} ${CONFIGURE_REQUEST_PIC}
--enable-modules=all --enable-modules=all
--enable-cxx=11 --enable-cxx=${PLUMED_CXX_STANDARD}
--disable-python --disable-python
${PLUMED_CONFIG_MPI} ${PLUMED_CONFIG_MPI}
${PLUMED_CONFIG_OMP} ${PLUMED_CONFIG_OMP}

2
cmake/Modules/Packages/PYTHON.cmake
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@ -1,6 +1,6 @@
if(NOT Python_INTERPRETER) if(NOT Python_INTERPRETER)
# backward compatibility with CMake before 3.12 and older LAMMPS documentation # backward compatibility with older LAMMPS documentation
if(PYTHON_EXECUTABLE) if(PYTHON_EXECUTABLE)
set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) set(Python_EXECUTABLE ${PYTHON_EXECUTABLE})
endif() endif()

2
doc/src/Build_settings.rst
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@ -8,7 +8,7 @@ Optional build settings
LAMMPS can be built with several optional settings. Each subsection LAMMPS can be built with several optional settings. Each subsection
explains how to do this for building both with CMake and make. explains how to do this for building both with CMake and make.
* `C++11 standard compliance`_ when building all of LAMMPS * `C++11 and C++17 standard compliance`_ when building all of LAMMPS
* `FFT library`_ for use with the :doc:`kspace_style pppm <kspace_style>` command * `FFT library`_ for use with the :doc:`kspace_style pppm <kspace_style>` command
* `Size of LAMMPS integer types and size limits`_ * `Size of LAMMPS integer types and size limits`_
* `Read or write compressed files`_ * `Read or write compressed files`_