diff options
author | Kei Kebreau <kkebreau@posteo.net> | 2021-01-23 17:29:50 -0500 |
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committer | Kei Kebreau <kkebreau@posteo.net> | 2021-01-25 22:21:28 -0500 |
commit | cf31ee0427ad9ac254a7fc2af9a4599d44c22f97 (patch) | |
tree | d31005f80c003c343e10a54394c3b557869c1d98 /gnu/packages | |
parent | 1d41f7770182f4225dcb7ab197bf0a5b9cca603a (diff) |
gnu: Add avogadro2.
* gnu/packages/chemistry.scm (avogadro2): New variable.
Diffstat (limited to 'gnu/packages')
-rw-r--r-- | gnu/packages/chemistry.scm | 35 |
1 files changed, 35 insertions, 0 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index e2a1ef57e1..5351ea596b 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -179,6 +179,41 @@ processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.") (license license:bsd-3))) +(define-public avogadro2 + (package + (name "avogadro2") + (version "1.93.0") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/OpenChemistry/avogadroapp") + (commit version))) + (sha256 + (base32 + "1z3pjlwja778a1dmvx9aqz2hlw5q9g3kqxhm9slz08452600jsv7")) + (file-name (git-file-name name version)))) + (build-system cmake-build-system) + (native-inputs + `(("eigen" ,eigen) + ("pkg-config" ,pkg-config))) + (inputs + `(("avogadrolibs" ,avogadrolibs) + ("hdf5" ,hdf5) + ("molequeue" ,molequeue) + ("qtbase" ,qtbase))) + ;; TODO: Enable tests with "-DENABLE_TESTING" configure flag. + (arguments + '(#:tests? #f)) + (home-page "https://www.openchemistry.org/projects/avogadro2/") + (synopsis "Advanced molecule editor") + (description + "Avogadro 2 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:bsd-3))) + (define-public domainfinder (package (name "domainfinder") |