spack/var/spack/repos/builtin/packages/libxc/0002-Mark-xc_erfcx-a-GPU_FUNCTION.patch
Harmen Stoppels d4831181ea
Add libxc 5.0.0 (#17807)
With experimental CUDA support and some patches to make it compile.

Currently +shared and +cuda conflict, this has to be fixed upstream.
2020-07-31 18:01:39 -05:00

34 lines
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Diff

From 11b90a0a477925f19dfeb7e1f672058f25d83387 Mon Sep 17 00:00:00 2001
From: Harmen Stoppels <harmenstoppels@gmail.com>
Date: Fri, 31 Jul 2020 13:54:39 +0200
Subject: [PATCH] Mark xc_erfcx a GPU_FUNCTION
---
src/faddeeva.c | 3 +++
1 file changed, 3 insertions(+)
diff --git a/src/faddeeva.c b/src/faddeeva.c
index ceec4736..03484713 100644
--- a/src/faddeeva.c
+++ b/src/faddeeva.c
@@ -29,6 +29,8 @@
#include "config.h"
+#include "util.h"
+
#include <math.h>
/* erfcx(x) = exp(x^2) erfc(x) function, for real x, written by
@@ -477,6 +479,7 @@ return 0.97771701335885035464e0 + (0.22000938572830479551e-1 + (0.27951610702682
return 1.0;
}
+GPU_FUNCTION
double xc_erfcx(double x)
{
if (x >= 0) {
--
2.25.1