From ea7b3f391ce733b51f0e75a7d0d26abc48fa15b2 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch>
Date: Wed, 29 Dec 2021 11:57:07 +0100
Subject: [PATCH] toolchain/sirius: fix CXX_FLAGS override, import patch to fix
 build issues with CUDA with newer NVHPC packages

---
 tools/toolchain/scripts/stage8/install_sirius.sh    |  8 ++++++--
 .../scripts/stage8/sirius-7.3.0-cudatoolkit.patch   | 13 +++++++++++++
 2 files changed, 19 insertions(+), 2 deletions(-)
 create mode 100644 tools/toolchain/scripts/stage8/sirius-7.3.0-cudatoolkit.patch

diff --git a/tools/toolchain/scripts/stage8/install_sirius.sh b/tools/toolchain/scripts/stage8/install_sirius.sh
index 214d783bdc..ccba915088 100755
--- a/tools/toolchain/scripts/stage8/install_sirius.sh
+++ b/tools/toolchain/scripts/stage8/install_sirius.sh
@@ -106,6 +106,10 @@ case "$with_sirius" in
       [ -d sirius-${sirius_ver} ] && rm -rf sirius-${sirius_ver}
       tar -xzf SIRIUS-${sirius_ver}.tar.gz
       cd SIRIUS-${sirius_ver}
+
+      # fix the CUDA include path
+      patch -p1 < "${SCRIPT_DIR}/stage8/sirius-7.3.0-cudatoolkit.patch"
+
       rm -Rf build
       mkdir build
       cd build
@@ -136,7 +140,7 @@ case "$with_sirius" in
       fi
 
       cmake -DCMAKE_INSTALL_PREFIX="${pkg_install_dir}" \
-        -DCMAKE_CXXFLAGS_RELEASE="${SIRIUS_OPT}" \
+        -DCMAKE_CXX_FLAGS_RELEASE="${SIRIUS_OPT}" \
         -DCMAKE_CXX_FLAGS_RELWITHDEBINFO="${SIRIUS_DBG}" \
         -DCMAKE_CXX_COMPILER="${MPICXX}" \
         -DCMAKE_C_COMPILER="${MPICC}" \
@@ -161,7 +165,7 @@ case "$with_sirius" in
         cd build-cuda
         CMAKE_PREFIX_PATH="${CMAKE_PREFIX_PATH}:${SPFFT_ROOT}/lib/cmake:${SPFFT_ROOT}/lib64/cmake" \
           cmake -DCMAKE_INSTALL_PREFIX=${pkg_install_dir} \
-          -DCMAKE_CXXFLAGS_RELEASE="${SIRIUS_OPT}" \
+          -DCMAKE_CXX_FLAGS_RELEASE="${SIRIUS_OPT}" \
           -DCMAKE_CXX_FLAGS_RELWITHDEBINFO="${SIRIUS_DBG}" \
           -DCMAKE_CUDA_FLAGS="-std=c++14 -allow-unsupported-compiler" \
           -DUSE_CUDA=ON \
diff --git a/tools/toolchain/scripts/stage8/sirius-7.3.0-cudatoolkit.patch b/tools/toolchain/scripts/stage8/sirius-7.3.0-cudatoolkit.patch
new file mode 100644
index 0000000000..f2940aa979
--- /dev/null
+++ b/tools/toolchain/scripts/stage8/sirius-7.3.0-cudatoolkit.patch
@@ -0,0 +1,13 @@
+diff --git a/cmake/cudalibs_target.cmake b/cmake/cudalibs_target.cmake
+index 29802dd3..3d4d761b 100644
+--- a/cmake/cudalibs_target.cmake
++++ b/cmake/cudalibs_target.cmake
+@@ -1,6 +1,5 @@
++find_package(CUDAToolkit REQUIRED)
+ if (NOT TARGET sirius::cudalibs)
+   add_library(sirius::cudalibs INTERFACE IMPORTED)
+-  set_target_properties(sirius::cudalibs PROPERTIES
+-                                         INTERFACE_INCLUDE_DIRECTORIES "${CUDA_INCLUDE_DIRS}"
+-                                         INTERFACE_LINK_LIBRARIES "${CUDA_LIBRARIES};${CUDA_CUBLAS_LIBRARIES};${CUDA_CUFFT_LIBRARIES};${CUDA_cusolver_LIBRARY}")
++  target_link_libraries(sirius::cudalibs INTERFACE CUDA::cudart CUDA::cublas CUDA::cufft CUDA::cusolver)
+ endif()