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Merge pull request #3360 from akohlmey/update-linalg

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Add missing functions for LATTE to linalg library
This commit is contained in:
Axel Kohlmeyer
2022-07-21 13:09:56 -04:00
committed by GitHub
parent 6f7839a516 c8cc2b1b24
commit 16e85a9f89
195 changed files with 4668 additions and 898 deletions
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8
cmake/CMakeLists.txt
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@ -417,9 +417,11 @@ endif()
if(PKG_MSCG OR PKG_ATC OR PKG_AWPMD OR PKG_ML-QUIP OR PKG_LATTE OR PKG_ELECTRODE)
enable_language(C)
find_package(LAPACK)
find_package(BLAS)
if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
if (NOT USE_INTERNAL_LINALG)
find_package(LAPACK)
find_package(BLAS)
endif()
if(NOT LAPACK_FOUND OR NOT BLAS_FOUND OR USE_INTERNAL_LINALG)
include(CheckGeneratorSupport)
if(NOT CMAKE_GENERATOR_SUPPORT_FORTRAN)
status(FATAL_ERROR "Cannot build internal linear algebra library as CMake build tool lacks Fortran support")

5
cmake/Modules/Packages/LATTE.cmake
View File

@ -23,8 +23,9 @@ if(DOWNLOAD_LATTE)
# CMake cannot pass BLAS or LAPACK library variable to external project if they are a list
list(LENGTH BLAS_LIBRARIES} NUM_BLAS)
list(LENGTH LAPACK_LIBRARIES NUM_LAPACK)
if((NUM_BLAS GREATER 1) OR (NUM_LAPACK GREATER 1))
message(FATAL_ERROR "Cannot compile downloaded LATTE library due to a technical limitation")
if((NUM_BLAS GREATER 1) OR (NUM_LAPACK GREATER 1) AND NOT USE_INTERNAL_LINALG)
message(FATAL_ERROR "Cannot compile downloaded LATTE library due to a technical limitation. "
"Try to configure LAMMPS with '-D USE_INTERNAL_LINALG=on' added as a workaround.")
endif()
include(ExternalProject)