7d01ee66d4
gnu: Add avogadro.
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* 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.
2018-08-25 17:05:30 -04:00
0c468cb52d
gnu: chemistry.scm: Add missing import.
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This is a follow-up to commit eb5ece73a8
2018-07-22 16:19:22 +02:00
eb5ece73a8
gnu: openbabel: Fix crash when opening NWChem output files.
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* 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.
2018-07-21 22:28:51 -04:00
348edd91ef
gnu: Add openbabel.
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* gnu/packages/chemistry.scm (openbabel): New variable.
2018-07-17 20:53:57 -04:00
a49eb85c34
gnu: Add inchi.
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* gnu/packages/chemistry.scm (inchi): New variable.
2018-07-13 22:21:45 -04:00
c695fb769c
gnu: Fix common unquote typos.
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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.
2018-03-17 16:37:27 +01:00
f250a868d8
gnu: Add nmoldyn.
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* gnu/packages/chemistry.scm (nmoldyn): New variable.
Signed-off-by: Leo Famulari <leo@famulari.name>
2018-01-05 16:19:09 -05:00
73114e30cb
gnu: Add domainfinder.
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* gnu/packages/chemistry.scm: New file.
* gnu/local.mk (GNU_SYSTEM_MODULES): Add it.
Signed-off-by: Leo Famulari <leo@famulari.name>
2018-01-05 16:19:09 -05:00
Kei Kebreau
Marius Bakke
Tobias Geerinckx-Rice
Konrad Hinsen