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gross error…

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This commit is contained in:
Yann Dupont 2023-03-22 15:07:53 +01:00
parent f081737a8c
commit aa2b3c6601
2 changed files with 1 additions and 54 deletions
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53
glicid-non-free/packages/chemistry.scm
View file

@ -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))))
)

2
tainted/packages/chemistry.scm
View file

@ -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