backporting master into devel (devel was behind master)

This commit is contained in:
Jean-François GUILLAUME 2022-05-10 10:00:46 +02:00
parent cc5cc2847f
commit 54560ad0ea
GPG key ID: 38751DAE145EFB5A
34 changed files with 10115 additions and 1803 deletions

View file

@ -90,7 +90,7 @@
;; #:use-module (gnu packages glicid)
#:use-module (gnu packages pretty-print)
#:use-module (gnu packages virtualization)
#:use-module (glicid packages storage)
;; #:use-module (glicid packages storage)
#:use-module (glicid packages mpi)
#:use-module (glicid packages gcc)
@ -142,23 +142,6 @@
)
)
;(define-public glicid-gromacs-openmpi
; (package
; (inherit gromacs)
; (name "glicid-gromacs-openmpi")
; (inputs `(("openmpi", openmpi)
; ,@(package-inputs gromacs)))
; (build-system cmake-build-system)
; (arguments
; `(#:configure-flags configure-flags)
; (append configure-flags (list "-DGMX_MPI=on"
; "-DCMAKE_C_COMPILER=mpicc"
; "-DCMAKE_CXX_COMPILER=mpiicxx"
; ))
; )
; )
;)
(define-public glicid-gromacs-openmpi
(package
@ -227,39 +210,6 @@
)
;; pour futures customisations.
;(define-public glicid-openmpi-gcc-10
; (package
; (inherit openmpi)
; (name "glicid-openpmi-gcc-10")
; (inputs `(("gcc-10", gcc-10)
; ("gfortran-11", gfortran-11)
; ,@(package-inputs openmpi)))
; )
;)
(define-public glicid-gromacs-gcc-11
(package
(inherit gromacs)
(name "glicid-gromacs-gcc-11")
(version "2020.3")
(source
(origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-" version ".tar.gz"))
(sha256 (base32 "1acjrhcfzpqy2dncblhj97602jbg9gdha4q1bgji9nrj25lq6cch"))
))
(inputs `(("gcc-11", gcc-11)
("gfortran-11", gfortran-11)
("glicid-openmpi-gcc-11", glicid-openmpi-gcc-11)
,@(package-inputs gromacs)))
))
(define-public glicid-python-nbxmpp
(package
(inherit python-nbxmpp)
@ -290,89 +240,6 @@
)
)
(define-public glicid-specific-hdf5-parallel-openmpi
(package/inherit glicid-specific-hdf5 ;use the latest
(name "glicid-specific-hdf5-parallel-openmpi")
(inputs
`(("mpi" ,glicid-specific-openmpi)
,@(package-inputs glicid-specific-hdf5)))
(arguments
; `(
; #:tests? #f
(
substitute-keyword-arguments (package-arguments glicid-specific-hdf5)
((#:configure-flags flags)
``("--enable-parallel" "--disable-tests"
,@(delete "--enable-cxx"
(delete "--enable-threadsafe" ,flags))))
((#:phases phases)
`(modify-phases ,phases
(add-after 'build 'mpi-setup
,%openmpi-setup)
(add-before 'check 'patch-tests
(lambda _
;; OpenMPI's mpirun will exit with non-zero status if it
;; detects an "abnormal termination", i.e. any process not
;; calling MPI_Finalize(). Since the test is explicitly
;; avoiding MPI_Finalize so as not to have at_exit and thus
;; H5C_flush_cache from being called, mpirun will always
;; complain, so turn this test off.
(substitute* "testpar/Makefile"
(("(^TEST_PROG_PARA.*)t_pflush1(.*)" front back)
(string-append front back "\n")))
(substitute* "tools/test/h5diff/testph5diff.sh"
(("/bin/sh") (which "sh")))
#t))))
))
(synopsis "Management suite for data with parallel IO support")))
(define-public glicid-specific-openblas
(package
(inherit openblas)
(name "glicid-specific-openblas")
(inputs `(
("fortran-lib",gfortran-11 "lib")
,@(package-inputs openblas)))
(native-inputs `(
("gcc", gcc-11)
("fortran" ,gfortran-11)
,@(package-native-inputs openblas)))
)
)
(define-public glicid-vspecific-openblas
(package
(inherit openblas)
(name "glicid-vspecific-openblas")
(version "0.3.15")
(source
(origin
(method url-fetch)
(uri (string-append "https://github.com/xianyi/OpenBLAS/releases/download/v" version "/OpenBLAS-" version ".tar.gz" ))
; (file-name (string-append name "-" version ".tar.gz"))
(sha256
(base32
"1gjbkrsh6n28hdp2ciyjigc8vg764d2r0jbzl63v753mjzn9va9h"))))
(name "glicid-specific-openblas")
(inputs `(
("fortran-lib",gfortran-11 "lib")
,@(package-inputs openblas)))
(native-inputs `(
("gcc", gcc-11)
("fortran" ,gfortran-11)
,@(package-native-inputs openblas)))
)
)
(define-public glicid-motif
(package
@ -427,8 +294,9 @@
(source (origin
(method git-fetch)
(uri (git-reference
(url "https://oauth2:9i-PgbC2w_JEx6DUUqzf@gitlab.univ-nantes.fr/CCIPL/legacy_code_mirror/grace.git")
(url "https://oauth2:glpat-RsX2GjsD2WrzXubiJeou@gitlab.univ-nantes.fr/CCIPL/legacy_code_mirror/grace.git")
(commit (string-append "v" version))))
(file-name (git-file-name name version))
(sha256 (base32 "1wb8v0q8xa2akas0swpgdgw1s66i50k7kh1g2f894hnk91fzx56z"))
)
)
@ -537,6 +405,6 @@
)
)
;; python-glances is now upstreamed as glances in python-xyz
;;; glicid.scm ends here