| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2020-05-04 | gnu: Add gromacs. | Vincent Legoll | |
| * gnu/packages/chemistry.scm (gromacs): New variable. * gnu/packages/patches/gromacs-tinyxml2.patch: New file... * gnu/local.mk (dist_patch_DATA): ...add it here. Signed-off-by: Ludovic Courtès <ludo@gnu.org> | |||
| 2020-05-04 | gnu: Add tng. | Vincent Legoll | |
| * gnu/packages/chemistry.scm (tng): New variable. Signed-off-by: Ludovic Courtès <ludo@gnu.org> | |||
| 2020-04-26 | gnu: nmoldyn: Adjust for Guile 3.0. | Marius Bakke | |
| * gnu/packages/chemistry.scm (nmoldyn)[arguments]: Provide explicit destination in calls to FORMAT. | |||
| 2020-03-05 | gnu: domainfinder: Update home page URI. | Björn Höfling | |
| * gnu/packages/chemistry.scm (domainfinder)[home-page]: Update URI. | |||
| 2020-03-05 | gnu: nmoldyn: Upate home page URI. | Björn Höfling | |
| * gnu/packages/chemistry.scm (nmoldyn)[home-page]: Update URI. | |||
| 2019-11-21 | gnu: nmoldyn: New source code location. | Konrad Hinsen | |
| * 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> | |||
| 2019-02-08 | gnu: avogadro: Don't use unstable tarball. | Tobias Geerinckx-Rice | |
| * gnu/packages/chemistry.scm (avogadro)[source]: Use GIT-FETCH and GIT-FILE-NAME. | |||
| 2019-01-15 | gnu: Separate Python core packages from the rest. | Ricardo Wurmus | |
| * 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. | |||
| 2018-12-17 | gnu: avogadro: Don't hardcode python version. | Efraim Flashner | |
| * gnu/packages/chemistry.scm (avogadro)[arguments]: Replace hardcoded python version with parametrized one. | |||
| 2018-08-25 | gnu: 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. | |||
| 2018-07-22 | gnu: chemistry.scm: Add missing import. | Marius Bakke | |
| This is a follow-up to commit eb5ece73a84439d21219a802c0dcb88d54046371. * gnu/packages/chemistry.scm: Import (gnu packages). | |||
| 2018-07-21 | gnu: 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. | |||
| 2018-07-17 | gnu: Add openbabel. | Kei Kebreau | |
| * gnu/packages/chemistry.scm (openbabel): New variable. | |||
| 2018-07-13 | gnu: Add inchi. | Kei Kebreau | |
| * gnu/packages/chemistry.scm (inchi): New variable. | |||
| 2018-03-17 | gnu: 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. | |||
| 2018-01-05 | gnu: Add nmoldyn. | Konrad Hinsen | |
| * gnu/packages/chemistry.scm (nmoldyn): New variable. Signed-off-by: Leo Famulari <leo@famulari.name> | |||
| 2018-01-05 | gnu: 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> | |||
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