From e4c2d1afc6952426ce148e439d781881f38b6cfe Mon Sep 17 00:00:00 2001 From: Annop Wongwathanarat Date: Tue, 8 Nov 2022 15:44:03 +0000 Subject: gromacs: enable linking with armpl-gcc FFT (#33750) --- var/spack/repos/builtin/packages/gromacs/package.py | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 52e66ee4cd..95bc7dab98 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -489,6 +489,13 @@ class Gromacs(CMakePackage): options.append( "-DFFTWF_LIBRARIES={0}".format(self.spec["amdfftw"].libs.joined(";")) ) + elif "^armpl-gcc" in self.spec: + options.append( + "-DFFTWF_INCLUDE_DIR={0}".format(self.spec["armpl-gcc"].headers.directories[0]) + ) + options.append( + "-DFFTWF_LIBRARY={0}".format(self.spec["armpl-gcc"].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 v1.2.3-70-g09d2