From ec7dfe1dad254b698f7eab4764885fb3d75b6d80 Mon Sep 17 00:00:00 2001 From: "dupont-y@univ-nantes.fr" Date: Thu, 13 Apr 2023 14:35:26 +0200 Subject: [PATCH] now really use openmpi --- glicid-tainted/packages/chemistry.scm | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/glicid-tainted/packages/chemistry.scm b/glicid-tainted/packages/chemistry.scm index 452c5fd..a30eee8 100644 --- a/glicid-tainted/packages/chemistry.scm +++ b/glicid-tainted/packages/chemistry.scm @@ -20,6 +20,7 @@ #:use-module (gnu packages sphinx) #:use-module (gnu packages check) #:use-module (gnu packages gcc) +#:use-module (gnu packages ssh) #:use-module (guix-science-nonfree packages cuda) #:use-module (glicid packages mpi) @@ -98,6 +99,7 @@ "-DGMX_EXTERNAL_TNG=on" "-DGMX_EXTERNAL_ZLIB=on" "-DGMX_HWLOC=ON" + "-DGMX_MPI=ON" "-DGMX_GPU=CUDA" (string-append "-DCUDA_TOOLKIT_ROOT_DIR=" #$(this-package-input "cuda-toolkit")) "-DGMX_EXTERNAL_TINYXML2=on" @@ -143,7 +145,7 @@ (inputs (modify-inputs (package-inputs gromacs) (append cuda -hwloc openmpi-glicid-waves +hwloc openmpi-glicid-waves openssh-sans-x ;; ssh is because openmpi use rsh and tests use it ! )))) )