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[66.158.149.239]) by smtp.gmail.com with ESMTPSA id 2-20020ac82082000000b002f39b99f672sm4287690qtd.12.2022.05.14.21.47.26 (version=TLS1_3 cipher=TLS_AES_256_GCM_SHA384 bits=256/256); Sat, 14 May 2022 21:47:27 -0700 (PDT) From: Maxim Cournoyer Date: Sun, 15 May 2022 00:37:15 -0400 Message-Id: <20220515044629.6843-48-maxim.cournoyer@gmail.com> X-Mailer: git-send-email 2.36.0 In-Reply-To: <20220515044629.6843-1-maxim.cournoyer@gmail.com> References: <20220515044629.6843-1-maxim.cournoyer@gmail.com> MIME-Version: 1.0 Content-Transfer-Encoding: 8bit X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list X-BeenThere: guix-patches@gnu.org List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: guix-patches-bounces+larch=yhetil.org@gnu.org Sender: "Guix-patches" X-Migadu-Flow: FLOW_IN X-Migadu-To: larch@yhetil.org X-Migadu-Country: US ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=yhetil.org; s=key1; t=1652590966; h=from:from:sender:sender:reply-to:subject:subject:date:date: message-id:message-id:to:to:cc:cc:mime-version:mime-version: content-transfer-encoding:content-transfer-encoding:resent-cc: resent-from:resent-sender:resent-message-id:in-reply-to:in-reply-to: references:references:list-id:list-help:list-unsubscribe: list-subscribe:list-post:dkim-signature; bh=UGkLn4q9YRzuu7Vem1WpZhsFSSJkaMgh1KAfNIyI3F4=; b=RrjfHDmrnNIDN11CdnAEiFdNJB8PeCBibIFf1QK92wQjsiOzatI36nxpltO12kZZr4+q79 QVNh5R+My7FwQ9N17dR9LoSgKxEJf2NMLIeiCs8oLj7dwoZ7M+qCfD25T6TiQuF480duuP 12StrZB30S5FcUCX3QNwjT4NY9u/DGq+SoruFjO0x7T3FiBWa4QXkopW9zSvcoj7n9Yr9b RxI6mDSdi7OF/itCt/18eeuK140jxjnp6Iv1/SFKFkj4I8jufM3MHKkdXDLZ+0oAYDQtNW cdqbbG6Vw7TmFq0XM7+RCLDmZNIul5zXkDOS4fhRJnJSOAMcKSmQk6g2iqDVEA== ARC-Seal: i=1; s=key1; d=yhetil.org; t=1652590966; a=rsa-sha256; cv=none; b=bj9G1xcPI01GD1UcF9M2yLvop0Q5lvJs8mkgSDOHIbgjImfOKi6y4Ocn5D3p/aunsub6Ar 6hQrW2BSA6QZq7Gy/sFSG1ioTJQufsD1dL/YZgcouu4VDBT7fx3d/GFBP7mzMd5VycgaQQ 6WupIpMLvTnf6mctWxC7OlATDVGuxuZt5jQPH8UbY9J34/rfHnO0L+bR/ACmhwSBEHqZcA GtforF2fKYj0/HMx93gIEaCg8xvXNtsJRp+mXRF1wqBlft36o6jF/KpUyylPuX2BwuKJPi AJzPYFvZMcbvh/zdOZ8iAkmP2SiwwkjvHduPh70tx7vXaVUVhefnw1PRC8FPrw== ARC-Authentication-Results: i=1; aspmx1.migadu.com; dkim=fail ("headers rsa verify failed") header.d=gmail.com header.s=20210112 header.b=a9decSiX; dmarc=fail reason="SPF not aligned (relaxed)" header.from=gmail.com (policy=none); spf=pass (aspmx1.migadu.com: domain of "guix-patches-bounces+larch=yhetil.org@gnu.org" designates 209.51.188.17 as permitted sender) smtp.mailfrom="guix-patches-bounces+larch=yhetil.org@gnu.org" X-Migadu-Spam-Score: 6.47 Authentication-Results: aspmx1.migadu.com; dkim=fail ("headers rsa verify failed") header.d=gmail.com header.s=20210112 header.b=a9decSiX; dmarc=fail reason="SPF not aligned (relaxed)" header.from=gmail.com (policy=none); spf=pass (aspmx1.migadu.com: domain of "guix-patches-bounces+larch=yhetil.org@gnu.org" designates 209.51.188.17 as permitted sender) smtp.mailfrom="guix-patches-bounces+larch=yhetil.org@gnu.org" X-Migadu-Queue-Id: 513323B8B6 X-Spam-Score: 6.47 X-Migadu-Scanner: scn1.migadu.com X-TUID: 13USRSvMtzxZ * gnu/packages/chemistry.scm (nmoldyn): Delete variable. --- gnu/packages/chemistry.scm | 60 -------------------------------------- 1 file changed, 60 deletions(-) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index d94f3ec787..e5b6309585 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -306,66 +306,6 @@ (define-public molequeue (define with-numpy-1.8 (package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8)))) -(define-public nmoldyn - (package - (name "nmoldyn") - (version "3.0.11") - (source - (origin - (method git-fetch) - (uri (git-reference - (url "https://github.com/khinsen/nMOLDYN3") - (commit (string-append "v" version)))) - (file-name (git-file-name name version)) - (sha256 - (base32 - "016h4bqg419p6s7bcx55q5iik91gqmk26hbnfgj2j6zl0j36w51r")))) - (build-system python-build-system) - (inputs - (list (with-numpy-1.8 python2-matplotlib) python2-scientific netcdf - gv)) - (propagated-inputs - (list python2-mmtk)) - (arguments - `(#:python ,python-2 - #:tests? #f ; No test suite - #:phases - (modify-phases %standard-phases - (add-before 'build 'create-linux2-directory - (lambda _ - (mkdir-p "nMOLDYN/linux2"))) - (add-before 'build 'change-PDF-viewer - (lambda* (#:key inputs #:allow-other-keys) - (substitute* "nMOLDYN/Preferences.py" - ;; Set the paths for external executables, substituting - ;; gv for acroread. - ;; There is also vmd_path, but VMD is not free software - ;; and Guix contains currently no free molecular viewer that - ;; could be substituted. - (("PREFERENCES\\['acroread_path'\\] = ''") - (format #f "PREFERENCES['acroread_path'] = '~a'" - (which "gv"))) - (("PREFERENCES\\['ncdump_path'\\] = ''") - (format #f "PREFERENCES['ncdump_path'] = '~a'" - (which "ncdump"))) - (("PREFERENCES\\['ncgen_path'\\] = ''") - (format #f "PREFERENCES['ncgen_path'] = '~a'" - (which "ncgen3"))) - (("PREFERENCES\\['task_manager_path'\\] = ''") - (format #f "PREFERENCES['task_manager_path'] = '~a'" - (which "task_manager"))) - ;; Show documentation as PDF - (("PREFERENCES\\['documentation_style'\\] = 'html'") - "PREFERENCES['documentation_style'] = 'pdf'") )))))) - (home-page "http://dirac.cnrs-orleans.fr/nMOLDYN.html") - (synopsis "Analysis software for Molecular Dynamics trajectories") - (description "nMOLDYN is an interactive analysis program for Molecular Dynamics -simulations. It is especially designed for the computation and decomposition of -neutron scattering spectra, but also computes other quantities. The software -is currently not actively maintained and works only with Python 2 and -NumPy < 1.9.") - (license license:cecill))) - (define-public tng (package (name "tng") -- 2.36.0