git: fb5d8423ae1d - main - science/erkale: chase libXC 6.0.0

The branch main has been updated by thierry:

URL: https://cgit.FreeBSD.org/ports/commit/?id=fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe

commit fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe
Author:     Thierry Thomas <thierry@FreeBSD.org>
AuthorDate: 2022-10-24 16:22:19 +0000
Commit:     Thierry Thomas <thierry@FreeBSD.org>
CommitDate: 2022-10-26 17:58:26 +0000

    science/erkale: chase libXC 6.0.0
    
    Patch from
    <https://github.com/susilehtola/erkale/commit/d507f5c0aa10614f00b1fa77ddb944490a5a7706>.
    
    PR:             267358
    Approved by:    yuri (maintainer)
---
 science/erkale/Makefile                     |  2 +-
 science/erkale/files/patch-src_dftfuncs.cpp | 38 +++++++++++++++++++++++++++++
 2 files changed, 39 insertions(+), 1 deletion(-)

diff --git a/science/erkale/Makefile b/science/erkale/Makefile
index 776388757f96..5a47285ac273 100644
--- a/science/erkale/Makefile
+++ b/science/erkale/Makefile
@@ -1,6 +1,6 @@
 PORTNAME=	erkale
 DISTVERSION=	g20220405
-PORTREVISION=	3
+PORTREVISION=	4
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
diff --git a/science/erkale/files/patch-src_dftfuncs.cpp b/science/erkale/files/patch-src_dftfuncs.cpp
new file mode 100644
index 000000000000..7961ddc433b2
--- /dev/null
+++ b/science/erkale/files/patch-src_dftfuncs.cpp
@@ -0,0 +1,38 @@
+--- src/dftfuncs.cpp.orig	2022-04-05 18:34:51 UTC
++++ src/dftfuncs.cpp
+@@ -434,7 +434,7 @@ double exact_exchange(int func_id) {
+     }
+ 
+ 
+-#if XC_MAJOR_VERSION >= 6
++#if XC_MAJOR_VERSION > 6
+     switch(xc_hyb_type(&func)) {
+     case(XC_HYB_HYBRID):
+       f=xc_hyb_exx_coef(&func);
+@@ -480,7 +480,7 @@ bool is_supported(int func_id) {
+       throw std::runtime_error(oss.str());
+     }
+     // Get flag
+-#if XC_MAJOR_VERSION >= 6
++#if XC_MAJOR_VERSION > 6
+     switch(xc_hyb_type(&func)) {
+     case(XC_HYB_SEMILOCAL):
+     case(XC_HYB_HYBRID):
+@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) {
+       oss << "Functional "<<func_id<<" not found!";
+       throw std::runtime_error(oss.str());
+     }
+-#if XC_MAJOR_VERSION >= 6
++#if XC_MAJOR_VERSION > 6
+     ans=(xc_hyb_type(&func) == XC_HYB_CAM);
+ #else
+     // Get flag
+@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou
+       xc_func_set_ext_params(&func, pars.memptr());
+     }
+ 
+-#if XC_MAJOR_VERSION >= 6
++#if XC_MAJOR_VERSION > 6
+     switch(xc_hyb_type(&func)) {
+     case(XC_HYB_HYBRID):
+     case(XC_HYB_CAM):