View | Details | Raw Unified | Return to bug 267358
Collapse All | Expand All

(-)b/science/erkale/Makefile (-1 / +1 lines)
Lines 1-6 Link Here
1
PORTNAME=	erkale
1
PORTNAME=	erkale
2
DISTVERSION=	g20220405
2
DISTVERSION=	g20220405
3
PORTREVISION=	3
3
PORTREVISION=	4
4
CATEGORIES=	science
4
CATEGORIES=	science
5
5
6
MAINTAINER=	yuri@FreeBSD.org
6
MAINTAINER=	yuri@FreeBSD.org
(-)b/science/erkale/files/patch-src_dftfuncs.cpp (-1 / +38 lines)
Added Link Here
0
- 
1
--- src/dftfuncs.cpp.orig	2022-04-05 18:34:51 UTC
2
+++ src/dftfuncs.cpp
3
@@ -434,7 +434,7 @@ double exact_exchange(int func_id) {
4
     }
5
 
6
 
7
-#if XC_MAJOR_VERSION >= 6
8
+#if XC_MAJOR_VERSION > 6
9
     switch(xc_hyb_type(&func)) {
10
     case(XC_HYB_HYBRID):
11
       f=xc_hyb_exx_coef(&func);
12
@@ -480,7 +480,7 @@ bool is_supported(int func_id) {
13
       throw std::runtime_error(oss.str());
14
     }
15
     // Get flag
16
-#if XC_MAJOR_VERSION >= 6
17
+#if XC_MAJOR_VERSION > 6
18
     switch(xc_hyb_type(&func)) {
19
     case(XC_HYB_SEMILOCAL):
20
     case(XC_HYB_HYBRID):
21
@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) {
22
       oss << "Functional "<<func_id<<" not found!";
23
       throw std::runtime_error(oss.str());
24
     }
25
-#if XC_MAJOR_VERSION >= 6
26
+#if XC_MAJOR_VERSION > 6
27
     ans=(xc_hyb_type(&func) == XC_HYB_CAM);
28
 #else
29
     // Get flag
30
@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou
31
       xc_func_set_ext_params(&func, pars.memptr());
32
     }
33
 
34
-#if XC_MAJOR_VERSION >= 6
35
+#if XC_MAJOR_VERSION > 6
36
     switch(xc_hyb_type(&func)) {
37
     case(XC_HYB_HYBRID):
38
     case(XC_HYB_CAM):

Return to bug 267358