From 8ed64b91c222cabb7956097c2de5df308b14328b Mon Sep 17 00:00:00 2001
From: he-zilong <azulena-he@outlook.com>
Date: Sun, 22 Feb 2026 01:24:29 +0800
Subject: [PATCH] Toolchain: fix tblite-0.5.0.tar.xz install behavior

---
 tools/toolchain/install_cp2k_toolchain.sh     | 19 ++++++++++++-------
 .../scripts/stage8/install_tblite.sh          | 10 ++++++++++
 2 files changed, 22 insertions(+), 7 deletions(-)

diff --git a/tools/toolchain/install_cp2k_toolchain.sh b/tools/toolchain/install_cp2k_toolchain.sh
index 2add817e80..48e6e61fb2 100755
--- a/tools/toolchain/install_cp2k_toolchain.sh
+++ b/tools/toolchain/install_cp2k_toolchain.sh
@@ -295,13 +295,15 @@ Specific options:
   --with-spglib           Enable the spg library for symmetry groups detection.
                           This package depends on CMake.
                           Default = install
-  --with-dftd4            Enable the DFTD4 package by Grimme for the DFT-D4
-                          dispersion correction method.
+  --with-dftd4            Enable the standalone DFTD4 package by Grimme for the
+                          DFT-D4 dispersion correction method.
                           This package requires CMake.
-                          Default = install
+                          Default = no
   --with-tblite           Enable the tblite package by Grimme for GFN-xtb and
-                          DFT-D4 methods. If tblite is used then standalone
-                          DFTD4 is not used.
+                          DFT-D4 methods, bundled with multicharge, mctc-lib,
+                          mstore, s-dftd3, and toml-f libraries as backends.
+                          If tblite is used, standalone DFTD4 package specified
+                          by --with-dftd4 will not be used.
                           This package requires CMake.
                           Default = no
   --with-sirius           Enable interface to the plane wave SIRIUS library.
@@ -1005,8 +1007,11 @@ fi
 
 # Since tblite includes dftd4, a separate dftd4 is not needed.
 if [ "${with_tblite}" != "__DONTUSE__" ]; then
-  report_warning ${LINENO} "When using tblite, do not use standalone dft-d4."
-  with_dftd4="__DONTUSE__"
+  if [ "${with_dftd4}" != "__DONTUSE__" ]; then
+    report_warning ${LINENO} "Since tblite includes dft-d4, a standalone dft-d4
+package will not be used separately."
+    with_dftd4="__DONTUSE__"
+  fi
 fi
 
 # Several packages require cmake.
diff --git a/tools/toolchain/scripts/stage8/install_tblite.sh b/tools/toolchain/scripts/stage8/install_tblite.sh
index 54e5f5b6d7..503edafff9 100755
--- a/tools/toolchain/scripts/stage8/install_tblite.sh
+++ b/tools/toolchain/scripts/stage8/install_tblite.sh
@@ -44,6 +44,15 @@ case "$with_tblite" in
       [ -d tblite-${tblite_ver} ] && rm -rf tblite-${tblite_ver}
       tar -xJf tblite-${tblite_ver}.tar.xz
       cd tblite-${tblite_ver}
+      # Interim fix for tblite-0.5.0.tar.xz: the subprojects are found in order
+      # specified by tblite-0.5.0/CMakeLists.txt as
+      # mctc-lib, mstore, toml-f (, test-drive), dft-d4 (, multicharge), s-dftd3.
+      # Despite all subprojects already included in the package, test-drive and
+      # multicharge cannot be located, necessitating separate downloads from
+      # github repositories. Two soft links are created to resolve this issue.
+      ln -s ${PWD}/subprojects/test-drive ${PWD}/subprojects/toml-f/subprojects/test-drive
+      ln -s ${PWD}/subprojects/multicharge ${PWD}/subprojects/dftd4/subprojects/multicharge
+      # See https://github.com/tblite/tblite/issues/313 for the full story.
 
       rm -Rf build
       mkdir build
@@ -114,6 +123,7 @@ EOF
     TBLITE_LDFLAGS="-L'${TBLITE_LINK_LIBRARIES}' -Wl,-rpath,'${TBLITE_LINK_LIBRARIES}'"
 
     cat << EOF >> "${BUILDDIR}/setup_tblite"
+prepend_path PATH "${pkg_install_dir}/bin"
 prepend_path LD_LIBRARY_PATH "${TBLITE_LINK_LIBRARIES}"
 prepend_path LD_RUN_PATH "${TBLITE_LINK_LIBRARIES}"
 prepend_path LIBRARY_PATH "${TBLITE_LINK_LIBRARIES}"