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backporting master into devel (devel was behind master)
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34 changed files with 10115 additions and 1803 deletions
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@ -90,7 +90,7 @@
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;; #:use-module (gnu packages glicid)
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#:use-module (gnu packages pretty-print)
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#:use-module (gnu packages virtualization)
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#:use-module (glicid packages storage)
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;; #:use-module (glicid packages storage)
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#:use-module (glicid packages mpi)
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#:use-module (glicid packages gcc)
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@ -142,23 +142,6 @@
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)
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)
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;(define-public glicid-gromacs-openmpi
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; (package
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; (inherit gromacs)
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; (name "glicid-gromacs-openmpi")
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; (inputs `(("openmpi", openmpi)
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; ,@(package-inputs gromacs)))
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; (build-system cmake-build-system)
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; (arguments
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; `(#:configure-flags configure-flags)
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; (append configure-flags (list "-DGMX_MPI=on"
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; "-DCMAKE_C_COMPILER=mpicc"
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; "-DCMAKE_CXX_COMPILER=mpiicxx"
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; ))
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; )
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; )
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;)
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(define-public glicid-gromacs-openmpi
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(package
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@ -227,39 +210,6 @@
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)
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;; pour futures customisations.
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;(define-public glicid-openmpi-gcc-10
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; (package
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; (inherit openmpi)
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; (name "glicid-openpmi-gcc-10")
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; (inputs `(("gcc-10", gcc-10)
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; ("gfortran-11", gfortran-11)
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; ,@(package-inputs openmpi)))
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; )
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;)
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(define-public glicid-gromacs-gcc-11
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(package
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(inherit gromacs)
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(name "glicid-gromacs-gcc-11")
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(version "2020.3")
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(source
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(origin
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(method url-fetch)
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(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-" version ".tar.gz"))
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(sha256 (base32 "1acjrhcfzpqy2dncblhj97602jbg9gdha4q1bgji9nrj25lq6cch"))
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))
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(inputs `(("gcc-11", gcc-11)
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("gfortran-11", gfortran-11)
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("glicid-openmpi-gcc-11", glicid-openmpi-gcc-11)
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,@(package-inputs gromacs)))
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))
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(define-public glicid-python-nbxmpp
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(package
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(inherit python-nbxmpp)
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@ -290,89 +240,6 @@
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)
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)
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(define-public glicid-specific-hdf5-parallel-openmpi
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(package/inherit glicid-specific-hdf5 ;use the latest
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(name "glicid-specific-hdf5-parallel-openmpi")
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(inputs
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`(("mpi" ,glicid-specific-openmpi)
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,@(package-inputs glicid-specific-hdf5)))
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(arguments
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; `(
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; #:tests? #f
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(
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substitute-keyword-arguments (package-arguments glicid-specific-hdf5)
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((#:configure-flags flags)
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``("--enable-parallel" "--disable-tests"
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,@(delete "--enable-cxx"
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(delete "--enable-threadsafe" ,flags))))
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((#:phases phases)
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`(modify-phases ,phases
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(add-after 'build 'mpi-setup
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,%openmpi-setup)
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(add-before 'check 'patch-tests
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(lambda _
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;; OpenMPI's mpirun will exit with non-zero status if it
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;; detects an "abnormal termination", i.e. any process not
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;; calling MPI_Finalize(). Since the test is explicitly
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;; avoiding MPI_Finalize so as not to have at_exit and thus
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;; H5C_flush_cache from being called, mpirun will always
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;; complain, so turn this test off.
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(substitute* "testpar/Makefile"
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(("(^TEST_PROG_PARA.*)t_pflush1(.*)" front back)
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(string-append front back "\n")))
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(substitute* "tools/test/h5diff/testph5diff.sh"
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(("/bin/sh") (which "sh")))
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#t))))
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))
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(synopsis "Management suite for data with parallel IO support")))
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(define-public glicid-specific-openblas
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(package
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(inherit openblas)
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(name "glicid-specific-openblas")
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(inputs `(
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("fortran-lib",gfortran-11 "lib")
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,@(package-inputs openblas)))
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(native-inputs `(
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("gcc", gcc-11)
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("fortran" ,gfortran-11)
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,@(package-native-inputs openblas)))
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)
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)
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(define-public glicid-vspecific-openblas
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(package
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(inherit openblas)
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(name "glicid-vspecific-openblas")
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(version "0.3.15")
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(source
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(origin
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(method url-fetch)
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(uri (string-append "https://github.com/xianyi/OpenBLAS/releases/download/v" version "/OpenBLAS-" version ".tar.gz" ))
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; (file-name (string-append name "-" version ".tar.gz"))
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(sha256
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(base32
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"1gjbkrsh6n28hdp2ciyjigc8vg764d2r0jbzl63v753mjzn9va9h"))))
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(name "glicid-specific-openblas")
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(inputs `(
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("fortran-lib",gfortran-11 "lib")
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,@(package-inputs openblas)))
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(native-inputs `(
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("gcc", gcc-11)
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("fortran" ,gfortran-11)
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,@(package-native-inputs openblas)))
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)
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)
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(define-public glicid-motif
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(package
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@ -427,8 +294,9 @@
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(source (origin
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(method git-fetch)
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(uri (git-reference
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(url "https://oauth2:9i-PgbC2w_JEx6DUUqzf@gitlab.univ-nantes.fr/CCIPL/legacy_code_mirror/grace.git")
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(url "https://oauth2:glpat-RsX2GjsD2WrzXubiJeou@gitlab.univ-nantes.fr/CCIPL/legacy_code_mirror/grace.git")
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(commit (string-append "v" version))))
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(file-name (git-file-name name version))
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(sha256 (base32 "1wb8v0q8xa2akas0swpgdgw1s66i50k7kh1g2f894hnk91fzx56z"))
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)
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)
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@ -537,6 +405,6 @@
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)
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)
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;; python-glances is now upstreamed as glances in python-xyz
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;;; glicid.scm ends here
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