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authorLudovic Courtès <ludovic.courtes@inria.fr>2023-01-10 10:53:20 +0100
committerLudovic Courtès <ludo@gnu.org>2023-01-10 11:49:13 +0100
commit04bf1d96344a604c47758da12b21a1ceb1b89178 (patch)
tree381b26b58449c27cf5264c401b763e796e700a60 /gnu/packages/chemistry.scm
parent7934e9c55669ebabce3791a9f532188c4ec9eb48 (diff)
gnu: gromacs: Remove input labels and use gexps.
* gnu/packages/chemistry.scm (gromacs)[arguments]: Turn into gexps. [native-inputs]: Remove labels. Remove (package-source googletest).
Diffstat (limited to 'gnu/packages/chemistry.scm')
-rw-r--r--gnu/packages/chemistry.scm94
1 files changed, 46 insertions, 48 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 33c15dbacc..065d75da6e 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -370,55 +370,53 @@ stored with user-specified precision.")
(patches (search-patches "gromacs-tinyxml2.patch"))))
(build-system cmake-build-system)
(arguments
- `(#: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_EXTERNAL_TINYXML2=on"
- (string-append "-DTinyXML2_DIR="
- (assoc-ref %build-inputs "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 (assoc-ref inputs "googletest-source")
- "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()"))
- #t)))))
+ (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_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()")))))))
(native-inputs
- `(("doxygen" ,doxygen)
- ("googletest-source" ,(package-source googletest))
- ("graphviz" ,graphviz)
- ("pkg-config" ,pkg-config)
- ("python" ,python)
- ("python-pygments" ,python-pygments)
- ("python-sphinx" ,python-sphinx)))
+ (list doxygen
+ graphviz
+ pkg-config
+ python
+ python-pygments
+ python-sphinx))
(inputs
(list fftwf
`(,hwloc-2 "lib")