From 528a863db792b4d1b6ca36ab0ad79a453c3163ef Mon Sep 17 00:00:00 2001
From: Hans Pabst <hans.pabst@intel.com>
Date: Tue, 30 Jul 2024 11:31:21 +0200
Subject: [PATCH] Initial support for libgrpp (CP2K).

---
 config/cp2k/Linux-x86-64-intelx.arch | 40 ++++++++++++++++++++++++++++
 1 file changed, 40 insertions(+)

diff --git a/config/cp2k/Linux-x86-64-intelx.arch b/config/cp2k/Linux-x86-64-intelx.arch
index b618cdd..8a8c28c 100644
--- a/config/cp2k/Linux-x86-64-intelx.arch
+++ b/config/cp2k/Linux-x86-64-intelx.arch
@@ -789,6 +789,38 @@ ifneq (0,$(ELPA)) # incl. undefined
     $(info ELPAROOT=$(ELPAROOT))
   endif
 endif
+ifneq (0,$(LIBGRPP)) # incl. undefined
+  ifneq (,$(wildcard $(LIBGRPP_BASEDIR)/$(XCFG)))
+    LIBGRPPROOT ?= $(abspath $(LIBGRPP_BASEDIR)/$(XCFG))
+  else ifneq (,$(wildcard $(CP2KHOME)/../libgrpp/$(XCFG)))
+    LIBGRPPROOT ?= $(abspath $(CP2KHOME)/../libgrpp/$(XCFG))
+  else ifneq (,$(wildcard $(HOME)/libgrpp/$(XCFG)))
+    LIBGRPPROOT ?= $(abspath $(HOME)/libgrpp/$(XCFG))
+  else ifneq (0,$(GNU))
+    ifneq (,$(wildcard $(LIBGRPP_BASEDIR)/gnu))
+      LIBGRPPROOT ?= $(abspath $(LIBGRPP_BASEDIR)/gnu)
+    else ifneq (,$(wildcard $(CP2KHOME)/../libgrpp/gnu))
+      LIBGRPPROOT ?= $(abspath $(CP2KHOME)/../libgrpp/gnu)
+    else ifneq (,$(wildcard $(HOME)/libgrpp/gnu))
+      LIBGRPPROOT ?= $(abspath $(HOME)/libgrpp/gnu)
+    endif
+  else ifneq (0,$(INTEL))
+    ifneq (,$(wildcard $(LIBGRPP_BASEDIR)/intel))
+      LIBGRPPROOT ?= $(abspath $(LIBGRPP_BASEDIR)/intel)
+    else ifneq (,$(wildcard $(CP2KHOME)/../libgrpp/intel))
+      LIBGRPPROOT ?= $(abspath $(CP2KHOME)/../libgrpp/intel)
+    else ifneq (,$(wildcard $(HOME)/libgrpp/intel))
+      LIBGRPPROOT ?= $(abspath $(HOME)/libgrpp/intel)
+    endif
+  endif
+  ifeq (/,$(LIBGRPPROOT))
+    LIBGRPPROOT := $(NULL)
+  endif
+  ifneq (,$(LIBGRPPROOT))
+    $(info LIBGRPPROOT=$(LIBGRPPROOT))
+  endif
+endif
+#
 ifneq (0,$(COSMA)) # incl. undefined
 ifneq (,$(COSMAROOT))
   $(info COSMAROOT=$(COSMAROOT))
@@ -824,6 +856,14 @@ ifneq (,$(LIBXCROOT))
   endif
 endif
 
+ifneq (,$(LIBGRPPROOT))
+  ifneq (,$(wildcard $(LIBGRPPROOT)/lib/liblibgrpp.a))
+    LIBS += $(LIBGRPPROOT)/lib/liblibgrpp.a
+    IFLAGS += $(LIBGRPPROOT)/include
+    DFLAGS += __LIBGRPP
+  endif
+endif
+
 ifneq (,$(PLUMEDROOT))
   DFLAGS += __PLUMED2
   # avoid duplicated libraries (-ldl -lstdc++)