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12 Commits (132c15ae9cbdc59b0b7bd28b492e024fce3eeb10)

Author SHA1 Message Date
Konrad Hinsen e2293cbbe0
gnu: nmoldyn: New source code location.
* gnu/packages/chemistry.scm (nmoldyn): New source code location.
Following the annoucement of Bitbucket to delete all
Mercurial repositories in June 2020, the source code has
been migrated to GitHub.

Signed-off-by: Ludovic Courtès <ludo@gnu.org>
2019-11-21 11:48:30 +01:00
Tobias Geerinckx-Rice 631249ddc0
gnu: avogadro: Don't use unstable tarball.
* gnu/packages/chemistry.scm (avogadro)[source]: Use GIT-FETCH and
GIT-FILE-NAME.
2019-02-08 23:50:55 +01:00
Ricardo Wurmus 44d10b1f72
gnu: Separate Python core packages from the rest.
* gnu/packages/python.scm: Move hundreds of package definitions from here...
* gnu/packages/python-xyz.scm: ...to this new module.
* gnu/local.mk (GNU_SYSTEM_MODULES): Add it.
* gnu/packages/ada.scm,
gnu/packages/admin.scm,
gnu/packages/android.scm,
gnu/packages/audio.scm,
gnu/packages/backup.scm,
gnu/packages/benchmark.scm,
gnu/packages/bioinformatics.scm,
gnu/packages/bittorrent.scm,
gnu/packages/calendar.scm,
gnu/packages/check.scm,
gnu/packages/chemistry.scm,
gnu/packages/cluster.scm,
gnu/packages/compression.scm,
gnu/packages/connman.scm,
gnu/packages/crypto.scm,
gnu/packages/cups.scm,
gnu/packages/databases.scm,
gnu/packages/dav.scm,
gnu/packages/direct-connect.scm,
gnu/packages/disk.scm,
gnu/packages/django.scm,
gnu/packages/dlang.scm,
gnu/packages/docker.scm,
gnu/packages/ebook.scm,
gnu/packages/elf.scm,
gnu/packages/emacs.scm,
gnu/packages/emulators.scm,
gnu/packages/engineering.scm,
gnu/packages/enlightenment.scm,
gnu/packages/finance.scm,
gnu/packages/fltk.scm,
gnu/packages/fontutils.scm,
gnu/packages/freedesktop.scm,
gnu/packages/game-development.scm,
gnu/packages/games.scm,
gnu/packages/geo.scm,
gnu/packages/gl.scm,
gnu/packages/glib.scm,
gnu/packages/gnome.scm,
gnu/packages/gnupg.scm,
gnu/packages/gnuzilla.scm,
gnu/packages/graph.scm,
gnu/packages/graphics.scm,
gnu/packages/graphviz.scm,
gnu/packages/gtk.scm,
gnu/packages/ham-radio.scm,
gnu/packages/image-processing.scm,
gnu/packages/image-viewers.scm,
gnu/packages/image.scm,
gnu/packages/irc.scm,
gnu/packages/jrnl.scm,
gnu/packages/julia.scm,
gnu/packages/kde-frameworks.scm,
gnu/packages/key-mon.scm,
gnu/packages/libffi.scm,
gnu/packages/libreoffice.scm,
gnu/packages/libusb.scm,
gnu/packages/lirc.scm,
gnu/packages/logging.scm,
gnu/packages/machine-learning.scm,
gnu/packages/mail.scm,
gnu/packages/mate.scm,
gnu/packages/maths.scm,
gnu/packages/medical.scm,
gnu/packages/messaging.scm,
gnu/packages/monitoring.scm,
gnu/packages/mp3.scm,
gnu/packages/mpd.scm,
gnu/packages/music.scm,
gnu/packages/networking.scm,
gnu/packages/nutrition.scm,
gnu/packages/openldap.scm,
gnu/packages/openstack.scm,
gnu/packages/package-management.scm,
gnu/packages/password-utils.scm,
gnu/packages/patchutils.scm,
gnu/packages/pdf.scm,
gnu/packages/photo.scm,
gnu/packages/polkit.scm,
gnu/packages/protobuf.scm,
gnu/packages/python-crypto.scm,
gnu/packages/python-web.scm,
gnu/packages/qt.scm,
gnu/packages/rdf.scm,
gnu/packages/ruby.scm,
gnu/packages/search.scm,
gnu/packages/selinux.scm,
gnu/packages/serialization.scm,
gnu/packages/shells.scm,
gnu/packages/simulation.scm,
gnu/packages/ssh.scm,
gnu/packages/statistics.scm,
gnu/packages/storage.scm,
gnu/packages/sync.scm,
gnu/packages/terminals.scm,
gnu/packages/textutils.scm,
gnu/packages/time.scm,
gnu/packages/tls.scm,
gnu/packages/tor.scm,
gnu/packages/tryton.scm,
gnu/packages/version-control.scm,
gnu/packages/video.scm,
gnu/packages/virtualization.scm,
gnu/packages/vpn.scm,
gnu/packages/web-browsers.scm,
gnu/packages/web.scm,
gnu/packages/wicd.scm,
gnu/packages/xdisorg.scm,
gnu/packages/xorg.scm: Update module references.
2019-01-15 14:46:44 +01:00
Efraim Flashner 4ae16f9c4e
gnu: avogadro: Don't hardcode python version.
* gnu/packages/chemistry.scm (avogadro)[arguments]: Replace hardcoded
python version with parametrized one.
2018-12-17 12:08:05 +02:00
Kei Kebreau 7d01ee66d4
gnu: Add avogadro.
* 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
Marius Bakke 0c468cb52d
gnu: chemistry.scm: Add missing import.
This is a follow-up to commit eb5ece73a8.

* gnu/packages/chemistry.scm: Import (gnu packages).
2018-07-22 16:19:22 +02:00
Kei Kebreau eb5ece73a8
gnu: openbabel: Fix crash when opening NWChem output files.
* 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
Kei Kebreau 348edd91ef
gnu: Add openbabel.
* gnu/packages/chemistry.scm (openbabel): New variable.
2018-07-17 20:53:57 -04:00
Kei Kebreau a49eb85c34
gnu: Add inchi.
* gnu/packages/chemistry.scm (inchi): New variable.
2018-07-13 22:21:45 -04:00
Tobias Geerinckx-Rice c695fb769c
gnu: Fix common unquote typos.
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
Konrad Hinsen f250a868d8
gnu: Add nmoldyn.
* gnu/packages/chemistry.scm (nmoldyn): New variable.

Signed-off-by: Leo Famulari <leo@famulari.name>
2018-01-05 16:19:09 -05:00
Konrad Hinsen 73114e30cb
gnu: Add domainfinder.
* 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