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add 2022.5 and 2023 variants

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This commit is contained in:
Yann Dupont 2023-04-13 16:57:36 +02:00
parent ec7dfe1dad
commit eac20c83f2
1 changed files with 125 additions and 2 deletions
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127
glicid-tainted/packages/chemistry.scm
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@ -135,7 +135,7 @@
"void __guix_disabled()"))
(substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp"
(("TEST\\(HardwareTopologyTest, NumaCacheSelfconsistency\\)")
"void __guix_disabledv2()"))
"void __guix_disabledv2()")) ;; really not sure it's the best way…
@ -149,4 +149,127 @@ hwloc openmpi-glicid-waves openssh-sans-x ;; ssh is because openmpi use rsh and
))))
)
gromacs+cuda-v2
(define-public gromacs-upstream-2205
(package
(inherit gromacs)
(name "gromacs-upstream")
(version "2022.5")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"08y233h7ajzjc63k7r8dabvckrmlwpim5y8jdklgz4xv4k2c6g08"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream+cuda-2205
(package
(inherit gromacs+cuda)
(version "2022.5")
(name "gromacs-upstream+cuda")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"08y233h7ajzjc63k7r8dabvckrmlwpim5y8jdklgz4xv4k2c6g08"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream+cuda-v2-2205
(package
(inherit gromacs+cuda-v2)
(version "2022.5")
(name "gromacs-upstream+cuda-v2")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"08y233h7ajzjc63k7r8dabvckrmlwpim5y8jdklgz4xv4k2c6g08"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream-2300
(package
(inherit gromacs-upstream-2205)
(version "2023")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"1a3vgckygd6gllnyvaydq721gkvfwmwxka6q9x0wmg7vfbdcd4mc"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream+cuda-2300
(package
(inherit gromacs-upstream+cuda-2205)
(version "2023")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"1a3vgckygd6gllnyvaydq721gkvfwmwxka6q9x0wmg7vfbdcd4mc"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream+cuda-v2-2300
(package
(inherit gromacs-upstream+cuda-v2-2205)
(version "2023")
(source (origin
(method url-fetch)
(uri (string-append "http://ftp.gromacs.org/pub/gromacs/gromacs-"
version ".tar.gz"))
(sha256
(base32
"1a3vgckygd6gllnyvaydq721gkvfwmwxka6q9x0wmg7vfbdcd4mc"))
;; Our version of tinyxml2 is far newer than the bundled one and
;; require fixing `testutils' code. See patch header for more info
(patches (search-patches "gromacs-tinyxml2.patch"))))
)
)
(define-public gromacs-upstream gromacs-upstream-2300)
(define-public gromacs-upstream+cuda gromacs-upstream+cuda-2300)
(define-public gromacs-upstream+cuda-v2 gromacs-upstream+cuda-v2-2300)
;gromacs-upstream+cuda-v2