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nixpkgs/pkgs/by-name/op/openmolcas/qcmaquis.patch
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2025-10-09 14:15:47 +02:00

103 lines
4.1 KiB
Diff

diff --git a/cmake/custom/nevpt2.cmake b/cmake/custom/nevpt2.cmake
index 789739ec8..6c86a7b8c 100644
--- a/cmake/custom/nevpt2.cmake
+++ b/cmake/custom/nevpt2.cmake
@@ -67,6 +67,7 @@ list(APPEND NEVPT2CMakeArgs
"-DMOLCAS_BUILD_DIR=${PROJECT_BINARY_DIR}"
"-DCMAKE_Fortran_MODULE_DIRECTORY=${mod_dir}"
"-DDMRG_INCLUDE=${HDF5_QCM_INCLUDE}"
+ "-DCMAKE_SKIP_BUILD_RPATH=ON"
)
if(HDF5_ROOT)
@@ -118,9 +119,7 @@ endif ()
ExternalProject_Add(${EP_PROJECT}
PREFIX ${CUSTOM_NEVPT2_LOCATION}
- GIT_REPOSITORY ${reference_git_repo}
- GIT_TAG ${reference_git_commit}
- UPDATE_DISCONNECTED ${EP_SkipUpdate}
+ URL @nevpt2_src_url@
CMAKE_ARGS "${NEVPT2CMakeArgs}"
INSTALL_DIR "${PROJECT_BINARY_DIR}/qcmaquis"
)
diff --git a/cmake/custom/qcmaquis.cmake b/cmake/custom/qcmaquis.cmake
index 5fd1ef207..8d2957c6e 100644
--- a/cmake/custom/qcmaquis.cmake
+++ b/cmake/custom/qcmaquis.cmake
@@ -77,6 +77,7 @@ list (APPEND QCMaquisCMakeArgs
-DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
-DCMAKE_CXX_FLAGS=${QCM_CMake_CXX_FLAGS}
-DCMAKE_INSTALL_PREFIX:PATH=<INSTALL_DIR>
+ -DCMAKE_SKIP_BUILD_RPATH=ON
)
if (HDF5_ROOT)
list (APPEND QCMaquisCMakeArgs
@@ -274,10 +275,7 @@ if (NOT MAQUIS_DMRG_FOUND) # Does the opposite work?
ExternalProject_Add (${EP_PROJECT}
PREFIX ${extprojpath}
- GIT_REPOSITORY ${reference_git_repo}
- GIT_TAG ${reference_git_commit}
- UPDATE_DISCONNECTED ${EP_SkipUpdate}
-
+ URL @qcmaquis_src_url@
SOURCE_SUBDIR dmrg
CMAKE_ARGS ${EP_CMAKE_ARGS}
CMAKE_CACHE_ARGS ${EP_CMAKE_CACHE_ARGS}
diff --git a/cmake/custom/qcmaquis.cmake b/cmake/custom/qcmaquis.cmake
index 5fd1ef207..4291ec3d7 100644
--- a/cmake/custom/qcmaquis.cmake
+++ b/cmake/custom/qcmaquis.cmake
@@ -94,47 +94,9 @@ if (NOT MAQUIS_DMRG_FOUND) # Does the opposite work?
)
endif (BOOST_ROOT)
- if (LINALG STREQUAL "Manual")
- target_files (LINALG_LIBRARIES_FILES ${LINALG_LIBRARIES})
- list (APPEND LINALG_LIBRARIES_FILES ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
- string (REPLACE ";" '\' LINALG_LIBRARIES_FILES "${LINALG_LIBRARIES_FILES}")
- list (APPEND QCMaquisCMakeArgs
- "-DBLAS_LAPACK_SELECTOR=manual"
- "-DMAQUISLapack_LIBRARIES=${LINALG_LIBRARIES_FILES}"
- )
- elseif (LINALG STREQUAL "MKL")
- list (APPEND QCMaquisCMakeArgs
- "-DBLAS_LAPACK_SELECTOR=mkl_sequential"
- )
- elseif (LINALG STREQUAL "OpenBLAS")
- list (APPEND QCMaquisCMakeArgs
- "-DBLAS_LAPACK_SELECTOR=openblas"
- "-DOPENBLASROOT=${OPENBLASROOT}"
- )
- elseif (LINALG STREQUAL "Accelerate")
- list (APPEND QCMaquisCMakeArgs
- "-DBLAS_LAPACK_SELECTOR:STRING=veclib"
- )
- elseif (LINALG STREQUAL "Internal")
-
- # To link QCMaquis with Fortran static libraries, we
- # need to add -lgfortran for gfortran
- # It seems that ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES}
- # is not suited for this because it contains also other unnecessary libraries
-
- # for some reason, the list does not work if the generator expression -lgfortran is not first
- # but for correct linking it needs to be last AND with a prepended "-l"
- if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
- set (Fortran_RUNTIME_LIBRARY "gfortran")
- endif ()
-
- list (APPEND QCMaquisCMakeArgs
- "-DBLAS_LAPACK_SELECTOR=manual"
- "-DMAQUISLapack_LIBRARIES=$<$<BOOL:Fortran_RUNTIME_LIBRARY>:${Fortran_RUNTIME_LIBRARY}\ >$<TARGET_FILE:blas>\ $<TARGET_FILE:lapack>\ $<TARGET_FILE:blas>\ -l$<$<BOOL:Fortran_RUNTIME_LIBRARY>:${Fortran_RUNTIME_LIBRARY}>"
- )
- else ()
- message (FATAL_ERROR "LINALG=${LINALG} is not supported by QCMaquis")
- endif ()
+ list (APPEND QCMaquisCMakeArgs
+ "-DBLAS_LAPACK_SELECTOR=auto"
+ )
# Enabling source changes to keep ExternalProject happy
set (CMAKE_DISABLE_SOURCE_CHANGES OFF