From aa2b3c660112748bc6e31a5db5b9167fb8975e02 Mon Sep 17 00:00:00 2001 From: "dupont-y@univ-nantes.fr" Date: Wed, 22 Mar 2023 15:07:53 +0100 Subject: [PATCH] =?UTF-8?q?gross=20error=E2=80=A6?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- glicid-non-free/packages/chemistry.scm | 53 -------------------------- tainted/packages/chemistry.scm | 2 +- 2 files changed, 1 insertion(+), 54 deletions(-) diff --git a/glicid-non-free/packages/chemistry.scm b/glicid-non-free/packages/chemistry.scm index 280996a..f720adb 100644 --- a/glicid-non-free/packages/chemistry.scm +++ b/glicid-non-free/packages/chemistry.scm @@ -22,56 +22,3 @@ #:use-module (gnu packages gcc) #:use-module (guix-science-nonfree packages cuda) ) - -(define-public gromacs+cuda - (package - (inherit gromacs) - (name "gromacs+cuda") - (arguments - (list #:configure-flags - #~(list "-DGMX_DEVELOPER_BUILD=on" ; Needed to run tests - ;; Unbundling - "-DGMX_USE_LMFIT=EXTERNAL" - "-DGMX_BUILD_OWN_FFTW=off" - "-DGMX_EXTERNAL_BLAS=on" - "-DGMX_EXTERNAL_LAPACK=on" - "-DGMX_EXTERNAL_TNG=on" - "-DGMX_EXTERNAL_ZLIB=on" - "-DGMX_GPU=CUDA" - (string-append "-DCUDA_TOOLKIT_ROOT_DIR=" #$(this-package-input "cuda-toolkit")) - "-DGMX_EXTERNAL_TINYXML2=on" - (string-append "-DTinyXML2_DIR=" - #$(this-package-input "tinyxml2")) - ;; Workaround for cmake/FindSphinx.cmake version parsing that does - ;; not understand the guix-wrapped `sphinx-build --version' answer - (string-append "-DSPHINX_EXECUTABLE_VERSION=" - #$(package-version python-sphinx))) - #:phases - #~(modify-phases %standard-phases - (add-after 'unpack 'fixes - (lambda* (#:key inputs #:allow-other-keys) - ;; Still bundled: part of gromacs, source behind registration - ;; but free software anyways - ;;(delete-file-recursively "src/external/vmd_molfile") - ;; Still bundled: threads-based OpenMPI-compatible fallback - ;; designed to be bundled like that - ;;(delete-file-recursively "src/external/thread_mpi") - ;; Unbundling - (delete-file-recursively "src/external/lmfit") - (delete-file-recursively "src/external/clFFT") - (delete-file-recursively "src/external/fftpack") - (delete-file-recursively "src/external/build-fftw") - (delete-file-recursively "src/external/tng_io") - (delete-file-recursively "src/external/tinyxml2") - (delete-file-recursively "src/external/googletest") - (copy-recursively #$(package-source googletest) - "src/external/googletest") - ;; This test warns about the build host hardware, disable - (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp" - (("TEST\\(HardwareTopologyTest, HwlocExecute\\)") - "void __guix_disabled()"))))))) - - (propagated-inputs - (modify-inputs (package-propagated-inputs gromacs) - (append cuda hwloc)))) -) diff --git a/tainted/packages/chemistry.scm b/tainted/packages/chemistry.scm index be6f19e..0eee98f 100644 --- a/tainted/packages/chemistry.scm +++ b/tainted/packages/chemistry.scm @@ -20,7 +20,7 @@ #:use-module (gnu packages sphinx) #:use-module (gnu packages check) #:use-module (gnu packages gcc) -#:use-module (non-free cuda) +#:use-module (guix-science-nonfree cuda) ) (define-public gromacs+cuda