From 7a5bd8cac46be0913b349cbdf4ebce4f75ce9819 Mon Sep 17 00:00:00 2001 From: Annop Wongwathanarat Date: Tue, 13 Dec 2022 17:32:42 +0000 Subject: gromacs: enable linking with acfl FFT (#34494) --- var/spack/repos/builtin/packages/gromacs/package.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 3117811886..27ae9136f1 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -506,6 +506,11 @@ class Gromacs(CMakePackage): options.append( "-DFFTWF_LIBRARY={0}".format(self.spec["armpl-gcc"].libs.joined(";")) ) + elif "^acfl" in self.spec: + options.append( + "-DFFTWF_INCLUDE_DIR={0}".format(self.spec["acfl"].headers.directories[0]) + ) + options.append("-DFFTWF_LIBRARY={0}".format(self.spec["acfl"].libs.joined(";"))) # Ensure that the GROMACS log files report how the code was patched # during the build, so that any problems are easier to diagnose. -- cgit v1.2.3-60-g2f50