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gnu: inchi: Update to 1.07.3.
* gnu/packages/chemistry.scm (inchi): Update to 1.07.3. [source]: Switch to git-fetch. [arguments]: Use gexps. Adjust chdir-to-build-directory, build and install phases. Enable parallel building. [native-inputs]: Remove input label. Drop inchi-doc. [license]: Change to Expat license. Change-Id: I50945dc888dd01a6a5f7905874c7d68ecdfd5d4d Signed-off-by: Andreas Enge <andreas@enge.fr>
This commit is contained in:
David Elsing
committed by
Andreas Enge
Andreas Enge
parent
dac488f404
commit
191b96e7ee
@@ -146,68 +146,66 @@ powerful plugin architecture.")
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(package
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(name "inchi")
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;; Update the inchi-doc native input when updating inchi.
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(version "1.06")
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(source (origin
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(method url-fetch)
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(uri (string-append "https://www.inchi-trust.org/download/"
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(string-join (string-split version #\.) "")
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"/INCHI-1-SRC.zip"))
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(sha256
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(base32
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"1zbygqn0443p0gxwr4kx3m1bkqaj8x9hrpch3s41py7jq08f6x28"))
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(file-name (string-append name "-" version ".zip"))))
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(version "1.07.3")
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(source
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(origin
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(method git-fetch)
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(uri (git-reference
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(url "https://github.com/IUPAC-InChI/InChI")
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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
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(base32
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"0r32f6i5d8ir96ic3nvqb5lywxrznwrkk6hnz1q0a4bgsw5pmk0n"))
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(modules '((guix build utils)))
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(snippet '(delete-file-recursively "INCHI-1-BIN"))))
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(build-system gnu-build-system)
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(arguments
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'(#:tests? #f ; no check target
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#:phases
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(modify-phases %standard-phases
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(delete 'configure) ; no configure script
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(add-before 'build 'chdir-to-build-directory
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(lambda _ (chdir "INCHI_EXE/inchi-1/gcc") #t))
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(add-after 'build 'build-library
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(lambda _
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(chdir "../../../INCHI_API/libinchi/gcc")
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(invoke "make")))
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(replace 'install
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(lambda* (#:key inputs outputs #:allow-other-keys)
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(let* ((out (assoc-ref outputs "out"))
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(bin (string-append out "/bin"))
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(doc (string-append out "/share/doc/inchi"))
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(include-dir (string-append out "/include/inchi"))
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(lib (string-append out "/lib/inchi"))
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(inchi-doc (assoc-ref inputs "inchi-doc"))
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(unzip (search-input-file inputs "/bin/unzip")))
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(chdir "../../..")
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;; Install binary.
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(with-directory-excursion "INCHI_EXE/bin/Linux"
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(rename-file "inchi-1" "inchi")
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(install-file "inchi" bin))
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;; Install libraries.
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(with-directory-excursion "INCHI_API/bin/Linux"
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(for-each (lambda (file)
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(install-file file lib))
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(find-files "." "libinchi\\.so\\.1\\.*")))
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;; Install header files.
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(with-directory-excursion "INCHI_BASE/src"
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(for-each (lambda (file)
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(install-file file include-dir))
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(find-files "." "\\.h$")))
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;; Install documentation.
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(mkdir-p doc)
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(invoke unzip "-j" "-d" doc inchi-doc)
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#t))))))
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(native-inputs
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`(("unzip" ,unzip)
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("inchi-doc"
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,(origin
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(method url-fetch)
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(uri (string-append "http://www.inchi-trust.org/download/"
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(string-join (string-split version #\.) "")
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"/INCHI-1-DOC.zip"))
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(sha256
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(base32
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"1kyda09i9p89xfq90ninwi7w13k1w3ljpl4gqdhpfhi5g8fgxx7f"))
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(file-name (string-append name "-" version ".zip"))))))
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(list
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#:tests? #f ; no check target
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#:phases
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#~(modify-phases %standard-phases
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(delete 'configure) ; no configure script
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(add-after 'unpack 'chdir-to-build-directory
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(lambda _ (chdir "INCHI-1-SRC/INCHI_EXE/inchi-1/gcc")))
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(add-after 'build 'build-library
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(lambda* (#:key parallel-build? #:allow-other-keys)
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(chdir "../../../INCHI_API/libinchi/gcc")
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(invoke "make" "-j" (if parallel-build?
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(number->string (parallel-job-count))
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"1"))))
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(replace 'install
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(lambda* (#:key inputs outputs #:allow-other-keys)
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(let* ((bin (string-append #$output "/bin"))
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(doc (string-append #$output "/share/doc/inchi"))
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(include-dir (string-append #$output "/include/inchi"))
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(lib (string-append #$output "/lib/inchi")))
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(chdir "../../..")
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;; Install binary.
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(with-directory-excursion "INCHI_EXE/bin/Linux"
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(rename-file "inchi-1" "inchi")
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(install-file "inchi" bin))
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;; Install library.
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(with-directory-excursion "INCHI_API/bin/Linux"
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(let ((libname (basename
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(car
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(find-files "." "libinchi\\.so\\.1\\.*")))))
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(install-file libname lib)
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(with-directory-excursion lib
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(symlink libname "libinchi.so.1")
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(symlink "libinchi.so.1" "libinchi.so"))))
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;; Install header files.
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(with-directory-excursion "INCHI_BASE/src"
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(for-each (lambda (file)
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(install-file file include-dir))
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(find-files "." "\\.h$")))
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;; Install documentation.
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(with-directory-excursion "../INCHI-1-DOC"
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(for-each
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(lambda (file)
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(install-file file doc))
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(find-files "." "\\.pdf$")))))))))
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(native-inputs (list unzip))
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(home-page "https://www.inchi-trust.org")
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(synopsis "Utility for manipulating machine-readable chemical structures")
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(description
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@@ -216,9 +214,7 @@ chemical structures into machine-readable strings of information. InChIs are
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unique to the compound they describe and can encode absolute stereochemistry
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making chemicals and chemistry machine-readable and discoverable. A simple
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analogy is that InChI is the bar-code for chemistry and chemical structures.")
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(license (license:non-copyleft
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"file://LICENCE"
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"See LICENCE in the distribution."))))
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(license license:expat)))
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(define-public libmsym
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(package
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