diff --git a/glicid-tainted/packages/chemistry.scm b/glicid-tainted/packages/chemistry.scm index 9ac5599..ee99a7a 100644 --- a/glicid-tainted/packages/chemistry.scm +++ b/glicid-tainted/packages/chemistry.scm @@ -37,7 +37,7 @@ "-DGMX_EXTERNAL_LAPACK=on" "-DGMX_EXTERNAL_TNG=on" "-DGMX_EXTERNAL_ZLIB=on" - "-DGMX_HWLOC=ON" +; "-DGMX_HWLOC=ON" "-DGMX_GPU=CUDA" (string-append "-DCUDA_TOOLKIT_ROOT_DIR=" #$(this-package-input "cuda-toolkit")) "-DGMX_EXTERNAL_TINYXML2=on" @@ -71,9 +71,9 @@ (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp" (("TEST\\(HardwareTopologyTest, HwlocExecute\\)") "void __guix_disabled()")) - (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp" - (("TEST\\(HardwareTopologyTest, NumaCacheSelfconsistency\\)") - "void __guix_disabled()")) + ; (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp" + ; (("TEST\\(HardwareTopologyTest, NumaCacheSelfconsistency\\)") + ; "void __guix_disabled()")) @@ -82,5 +82,7 @@ (inputs (modify-inputs (package-inputs gromacs) - (append cuda hwloc)))) + (append cuda +;hwloc +)))) )