From 0d129a2bb05e8a480b5f82c103a4d2fa2d4fc51e Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Sun, 29 Dec 2024 17:15:43 +0100
Subject: [PATCH] Intermediate patch for SIRIUS 7.6.1 and Libxc >=7

until a new SIRIUS release is available
---
 tools/toolchain/scripts/stage8/install_sirius.sh |  3 +++
 .../toolchain/scripts/stage8/sirius_libxc7.patch | 16 ++++++++++++++++
 2 files changed, 19 insertions(+)
 create mode 100644 tools/toolchain/scripts/stage8/sirius_libxc7.patch

diff --git a/tools/toolchain/scripts/stage8/install_sirius.sh b/tools/toolchain/scripts/stage8/install_sirius.sh
index 5882d1d129..ceadce397f 100755
--- a/tools/toolchain/scripts/stage8/install_sirius.sh
+++ b/tools/toolchain/scripts/stage8/install_sirius.sh
@@ -119,6 +119,9 @@ case "$with_sirius" in
       # https://github.com/electronic-structure/SIRIUS/issues/854
       sed -i'' -e '1s/.*/#include <cstdint>\n&/' src/*.hpp
 
+      # Patch SIRIUS 7.6.1 for Libxc 7.0.0
+      patch -p1 src/potential/xc_functional_base.hpp <${SCRIPT_DIR}/stage8/sirius_libxc7.patch
+
       rm -Rf build
       mkdir build
       cd build
diff --git a/tools/toolchain/scripts/stage8/sirius_libxc7.patch b/tools/toolchain/scripts/stage8/sirius_libxc7.patch
new file mode 100644
index 0000000000..d6d388e139
--- /dev/null
+++ b/tools/toolchain/scripts/stage8/sirius_libxc7.patch
@@ -0,0 +1,16 @@
+--- a/src/potential/xc_functional_base.hpp
++++ b/src/potential/xc_functional_base.hpp
+@@ -15,6 +15,13 @@
+ #define __XC_FUNCTIONAL_BASE_HPP__
+ 
+ #include <xc.h>
++
++/* libxc >= 7 split the functional definition in a different file from xc.h */
++
++#if (XC_MAJOR_VERSION >= 7)
++#include <xc_funcs.h>
++#endif
++
+ #include <string.h>
+ #include <memory>
+ #include <map>