diff options
Diffstat (limited to 'gnu/packages/chemistry.scm')
-rw-r--r-- | gnu/packages/chemistry.scm | 85 |
1 files changed, 0 insertions, 85 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 5351ea596b..e7b061515b 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -52,91 +52,6 @@ #:use-module (guix build-system gnu) #:use-module (guix build-system python)) -(define-public avogadro - (package - (name "avogadro") - (version "1.2.0") - (source - (origin - (method git-fetch) - (uri (git-reference - (url "https://github.com/cryos/avogadro") - (commit version))) - (sha256 - (base32 "0258py3lkba85qhs5ynancinyym61vlp0zaq9yrfs3hhnhpzv9n2")) - (file-name (git-file-name name version)) - (patches - (search-patches "avogadro-eigen3-update.patch" - "avogadro-python-eigen-lib.patch" - "avogadro-boost148.patch")))) - (build-system cmake-build-system) - (arguments - `(#:tests? #f - #:configure-flags - (list "-DENABLE_GLSL=ON" - (string-append "-DPYTHON_LIBRARIES=" - (assoc-ref %build-inputs "python") - "/lib") - (string-append "-DPYTHON_INCLUDE_DIRS=" - (assoc-ref %build-inputs "python") - "/include/python" - ,(version-major+minor - (package-version python)))) - #:phases - (modify-phases %standard-phases - (add-after 'unpack 'patch-python-lib-path - (lambda* (#:key outputs #:allow-other-keys) - ;; This is necessary to install the Python module in the correct - ;; directory. - (substitute* "libavogadro/src/python/CMakeLists.txt" - (("^EXECUTE_PROCESS.*$") "") - (("^.*from sys import stdout.*$") "") - (("^.*OUTPUT_VARIABLE.*") - (string-append "set(PYTHON_LIB_PATH \"" - (assoc-ref outputs "out") - "/lib/python" - ,(version-major+minor - (package-version python)) - "/site-packages\")"))) - #t)) - (add-after 'install 'wrap-program - (lambda* (#:key inputs outputs #:allow-other-keys) - ;; Make sure 'avogadro' runs with the correct PYTHONPATH. - (let* ((out (assoc-ref outputs "out"))) - (setenv "PYTHONPATH" - (string-append - (assoc-ref outputs "out") - "/lib/python" - ,(version-major+minor - (package-version python)) - "/site-packages:" - (getenv "PYTHONPATH"))) - (wrap-program (string-append out "/bin/avogadro") - `("PYTHONPATH" ":" prefix (,(getenv "PYTHONPATH"))))) - #t))))) - (native-inputs - `(("doxygen" ,doxygen) - ("pkg-config" ,pkg-config))) - (inputs - `(("boost" ,boost) - ("eigen" ,eigen) - ("glew" ,glew) - ("openbabel" ,openbabel) - ("python" ,python-2) - ("python-numpy" ,python2-numpy) - ("python-pyqt" ,python2-pyqt-4) - ("python-sip" ,python2-sip) - ("qt" ,qt-4) - ("zlib" ,zlib))) - (home-page "https://avogadro.cc") - (synopsis "Advanced molecule editor") - (description - "Avogadro is an advanced molecule editor and visualizer designed for use -in computational chemistry, molecular modeling, bioinformatics, materials -science, and related areas. It offers flexible high quality rendering and a -powerful plugin architecture.") - (license license:gpl2+))) - (define-public avogadrolibs (package (name "avogadrolibs") |