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2018-12-17gnu: avogadro: Don't hardcode python version.Efraim Flashner
* gnu/packages/chemistry.scm (avogadro)[arguments]: Replace hardcoded python version with parametrized one.
2018-08-25gnu: Add avogadro.Kei Kebreau
* gnu/packages/chemistry.scm (avogadro): New variable. * gnu/packages/patches/avogadro-boost148.patch, gnu/packages/patches/avogadro-eigen3-update.patch, gnu/packages/patches/avogadro-python-eigen-lib.patch: New files. * gnu/local.mk (dist_patch_DATA): Add them.
2018-07-22gnu: chemistry.scm: Add missing import.Marius Bakke
This is a follow-up to commit eb5ece73a84439d21219a802c0dcb88d54046371. * gnu/packages/chemistry.scm: Import (gnu packages).
2018-07-21gnu: openbabel: Fix crash when opening NWChem output files.Kei Kebreau
* gnu/packages/patches/openbabel-fix-crash-on-nwchem-output.patch: New file. * gnu/local.mk (dist_patch_DATA): Register it. * gnu/packages/chemistry.scm (openbabel)[source]: Use it.
2018-07-17gnu: Add openbabel.Kei Kebreau
* gnu/packages/chemistry.scm (openbabel): New variable.
2018-07-13gnu: Add inchi.Kei Kebreau
* gnu/packages/chemistry.scm (inchi): New variable.
2018-03-17gnu: Fix common unquote typos.Tobias Geerinckx-Rice
It's easy to mistype ‘("foo" foo)’ as ‘("foo", foo)’ (which also works). Fix such typos for the proper edification of our young. * gnu/packages/android.scm: Move unquotes to their operands. * gnu/packages/bootloaders.scm: Likewise. * gnu/packages/build-tools.scm: Likewise. * gnu/packages/chemistry.scm: Likewise. * gnu/packages/compression.scm: Likewise. * gnu/packages/connman.scm: Likewise. * gnu/packages/django.scm: Likewise. * gnu/packages/emulators.scm: Likewise. * gnu/packages/engineering.scm: Likewise. * gnu/packages/file-systems.scm: Likewise. * gnu/packages/freedesktop.scm: Likewise. * gnu/packages/games.scm: Likewise. * gnu/packages/gimp.scm: Likewise. * gnu/packages/gl.scm: Likewise. * gnu/packages/gnome.scm: Likewise. * gnu/packages/graphics.scm: Likewise. * gnu/packages/haskell.scm: Likewise. * gnu/packages/irc.scm: Likewise. * gnu/packages/julia.scm: Likewise. * gnu/packages/kde-frameworks.scm: Likewise. * gnu/packages/linux.scm: Likewise. * gnu/packages/lua.scm: Likewise. * gnu/packages/mail.scm: Likewise. * gnu/packages/make-bootstrap.scm: Likewise. * gnu/packages/messaging.scm: Likewise. * gnu/packages/music.scm: Likewise. * gnu/packages/networking.scm: Likewise. * gnu/packages/ocaml.scm: Likewise. * gnu/packages/perl.scm: Likewise. * gnu/packages/python.scm: Likewise. * gnu/packages/python-web.scm: Likewise. * gnu/packages/qt.scm: Likewise. * gnu/packages/ratpoison.scm: Likewise. * gnu/packages/sdl.scm: Likewise. * gnu/packages/sml.scm: Likewise. * gnu/packages/terminals.scm: Likewise. * gnu/packages/text-editors.scm: Likewise. * gnu/packages/video.scm: Likewise. * gnu/packages/virtualization.scm: Likewise. * gnu/packages/vulkan.scm: Likewise. * gnu/packages/wget.scm: Likewise. * gnu/packages/wine.scm: Likewise. * gnu/packages/wm.scm: Likewise. * gnu/packages/xdisorg.scm: Likewise. * gnu/packages/xml.scm: Likewise. * gnu/packages/xorg.scm: Likewise.
2018-01-05gnu: Add nmoldyn.Konrad Hinsen
* gnu/packages/chemistry.scm (nmoldyn): New variable. Signed-off-by: Leo Famulari <leo@famulari.name>
2018-01-05gnu: Add domainfinder.Konrad Hinsen
* gnu/packages/chemistry.scm: New file. * gnu/local.mk (GNU_SYSTEM_MODULES): Add it. Signed-off-by: Leo Famulari <leo@famulari.name>