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authorAnnop Wongwathanarat <annop.wongwathanarat@gmail.com>2022-12-13 17:32:42 +0000
committerGitHub <noreply@github.com>2022-12-13 09:32:42 -0800
commit7a5bd8cac46be0913b349cbdf4ebce4f75ce9819 (patch)
treedeab596ba4dce0f3103ada901d53baec291f01c3
parent333da47dc7d7ad098c0e91bd02452129777d7f46 (diff)
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gromacs: enable linking with acfl FFT (#34494)
-rw-r--r--var/spack/repos/builtin/packages/gromacs/package.py5
1 files changed, 5 insertions, 0 deletions
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.