diff --git a/tainted/packages/chemistry.scm b/tainted/packages/chemistry.scm index b07973d..be6f19e 100644 --- a/tainted/packages/chemistry.scm +++ b/tainted/packages/chemistry.scm @@ -1,4 +1,4 @@ -(define-module (glicid-non-free packages chemistry) +(define-module (tainted packages chemistry) #:use-module (guix packages) #:use-module (guix download) #:use-module (guix gexp) @@ -37,6 +37,7 @@ "-DGMX_EXTERNAL_LAPACK=on" "-DGMX_EXTERNAL_TNG=on" "-DGMX_EXTERNAL_ZLIB=on" + "-DGMX_HWLOC=ON" "-DGMX_GPU=CUDA" (string-append "-DCUDA_TOOLKIT_ROOT_DIR=" #$(this-package-input "cuda-toolkit")) "-DGMX_EXTERNAL_TINYXML2=on" @@ -71,7 +72,7 @@ (("TEST\\(HardwareTopologyTest, HwlocExecute\\)") "void __guix_disabled()"))))))) - (propagated-inputs - (modify-inputs (package-propagated-inputs gromacs) + (inputs + (modify-inputs (package-inputs gromacs) (append cuda hwloc)))) )