From 4f8e73e1c167f46f20b0801e72d4c7d9d95b6ac2 Mon Sep 17 00:00:00 2001 From: YI Zeping <18586016708@163.com> Date: Wed, 3 Jan 2024 04:02:35 +0800 Subject: NWChem: patch on variant fftw3; fix for #41577 (#41632) * patch on variant fftw3; fix for #41577 * a line of doubtful blas/fftw +openmp. Are they needed with nwchem+openmp? * Update var/spack/repos/builtin/packages/nwchem/package.py Co-authored-by: Rocco Meli --------- Co-authored-by: Rocco Meli --- var/spack/repos/builtin/packages/nwchem/package.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/nwchem/package.py b/var/spack/repos/builtin/packages/nwchem/package.py index ef27b5c8ed..9be28311fe 100644 --- a/var/spack/repos/builtin/packages/nwchem/package.py +++ b/var/spack/repos/builtin/packages/nwchem/package.py @@ -50,7 +50,7 @@ class Nwchem(Package): # https://github.com/nwchemgit/nwchem/commit/376f86f96eb982e83f10514e9dcd994564f973b4 # https://github.com/nwchemgit/nwchem/commit/c89fc9d1eca6689bce12564a63fdea95d962a123 # Prior versions of NWChem, including 7.0.2, were not able to link with FFTW - patch("fftw_splans.patch", when="@7.2.0") + patch("fftw_splans.patch", when="@7.2.0 +fftw3") depends_on("blas") depends_on("lapack") @@ -66,7 +66,7 @@ class Nwchem(Package): scalapack = spec["scalapack"].libs lapack = spec["lapack"].libs blas = spec["blas"].libs - fftw = spec["fftw-api:double,float"].libs + fftw = spec["fftw-api:double,float"].libs if self.spec.satisfies("+fftw3") else "" # see https://nwchemgit.github.io/Compiling-NWChem.html args = [] args.extend( -- cgit v1.2.3-60-g2f50