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2024-02-13gnu: rdkit: Update to 2023.09.4.David Elsing
* gnu/packages/chemistry.scm (rdkit): Update to 2023.09.4. [arguments]: Skip testConrec test in check phase. [native-inputs]: Replace catch2 with catch2-3. * gnu/packages/patches/rdkit-unbundle-external-dependencies.patch: Adjust patch. [supported-systems]: New field. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: freesasa: Fix memerr tests.David Elsing
* gnu/packages/chemistry.scm (freesasa)[arguments]: Add "CFLAGS=-fno-builtin-malloc" to #:configure-flags. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: avalon-toolkit: Update to 2.0.5a.David Elsing
The bug freeing static memory and the makefile have been improved upstream, so we don't have to work around them anymore. Now, two static libraries are built instead. * gnu/packages/chemistry.scm (avalon-toolkit): Update to 2.0.5a. [source]: Switch to git reference from GitHub. Adjust snippet. Add patch from the RDKit fork. [arguments]: Remove 'dont-free-static-memory phase. Use provided makefile. Adjust 'install phase. * gnu/packages/patches/avalon-toolkit-rdkit-fixes.patch: New file. * gnu/local.mk (dist_patch_DATA): Add it. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: yaehmop: Update to 2023.03.1.David Elsing
* gnu/packages/chemistry.scm (yaehmop): Update to 2023.03.1. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: coordgenlibs: Update to 3.0.2.David Elsing
* gnu/packages/chemistry.scm (coordgenlibs): Update to 3.0.2. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: maeparser: Update to 1.3.1.David Elsing
* gnu/packages/chemistry.scm (maeparser): Update to 1.3.1. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-02-13gnu: gemmi: Update to 0.6.4.David Elsing
* gnu/packages/chemistry.scm (gemmi): Update to 0.6.4. [arguments]: Adjust include/gemmi/sprintf.hpp -> src/sprintf.cpp. (freesasa)[arguments]: Link to gemmi_cpp explicitly. Signed-off-by: Christopher Baines <mail@cbaines.net>
2024-01-09gnu: msgpack: Deprecate with msgpack-c.Maxim Cournoyer
* gnu/packages/serialization.scm (msgpack-c): New variable. (msgpack-cxx): New variable. (msgpack): Rename to... (msgpack-3): ... this, and inherit from msgpack-c. * gnu/packages/vim.scm (eovim) [arguments]: Add help-cmake-find-msgpack-c phase. [inputs]: Replace msgpack with msgpack-c. * gnu/packages/terminals.scm (tmate) [inputs]: Replace msgpack with msgpack-3. * gnu/packages/networking.scm (opendht) [propagated-inputs]: Replace msgpack with msgpack-cxx. * gnu/packages/chemistry.scm (mmtf-cpp) [propagated-inputs]: Likewise.
2023-08-21gnu: python-pymol: Remove msgpack from native-inputs.Maxim Cournoyer
It's now propagated by mmtf-cpp. * gnu/packages/chemistry.scm (python-pymol) [native-inputs]: Remove msgpack. Reviewed-by: Andreas Enge <andreas@enge.fr>
2023-08-21gnu: avogadrolibs: Remove msgpack from native-inputs.Maxim Cournoyer
It's now propagated by mmtf-cpp. * gnu/packages/chemistry.scm (avogadrolibs) [native-inputs]: Remove msgpack. Reviewed-by: Andreas Enge <andreas@enge.fr>
2023-08-21gnu: mmtf-cpp: Update to 1.1.0.Maxim Cournoyer
* gnu/packages/chemistry.scm (mmtf-cpp): Update to 1.1.0. [propagated-inputs]: Add msgpack. Reviewed-by: Andreas Enge <andreas@enge.fr>
2023-07-26gnu: python-pymol: Fix launch script.David Elsing
* gnu/packages/chemistry.scm (python-pymol)[#:phases]: Add 'disable-unchroot. [native-inputs]: Remove python-setuptools. Signed-off-by: Andreas Enge <andreas@enge.fr>
2023-07-18gnu: Rationalize texlive-updmap.cfg and texlive-tiny inputs.Nicolas Goaziou
TEXLIVE-UPDMAP.CFG and TEXLIVE-TINY should only be used as native inputs. Also remove texlive packages already provided by them. * doc/build.scm (pdf-manual): * gnu/packages/algebra.scm (pari-gp): * gnu/packages/bioinformatics.scm (discrover): (phyml): (velvet): * gnu/packages/chemistry.scm (yaehmop): * gnu/packages/chez.scm (stex-bootstrap): (chez-web): (chez-sockets): * gnu/packages/cran.scm (r-prereg): * gnu/packages/docbook.scm (dblatex): * gnu/packages/emacs-xyz.scm (emacs-auctex): * gnu/packages/engineering.scm (fastcap): * gnu/packages/fsf.scm (book-faif): * gnu/packages/graphviz.scm (dot2tex): * gnu/packages/maths.scm (hypre): * gnu/packages/ocaml.scm (unison): (ocaml-bibtex2html): * gnu/packages/plotutils.scm (asymptote): * gnu/packages/python-xyz.scm (python-nbconvert): (python-pypandoc): * gnu/packages/radio.scm (gnuradio): (libosmo-dsp): * gnu/packages/statistics.scm (r-with-tests): * gnu/packages/tex.scm (texlive-makecmds): (texlive-innerscript): (teximpatient): (texlive-xkeyval): Remove texlive packages already provided by TEXLIVE-UPDMAP.CFG. Don't add TEXLIVE-TINY or TEXLIVE-UPDMAP.CFG as inputs.
2023-07-18gnu: yaehmop: Fix build due to missing TeX Live scripts.Nicolas Goaziou
* gnu/packages/chemistry.scm (yaehmop)[native-inputs]: Add missing "latexmk" and "repstopdf" scripts.
2023-07-18gnu: texlive-fonts-ec -> texlive-ec.Nicolas Goaziou
* gnu/packages/tex.scm (texlive-ec): New variable. (texlive-fonts-ec): Deprecate variable. (lyx): (biber): * gnu/packages/python-xyz.scm (python-pypandoc): * gnu/packages/statistics.scm (r-with-tests): * doc/build.scm (pdf-manual): * gnu/packages/bioinformatics.scm (discrover): (phyml): (velvet): * gnu/packages/chemistry.scm (yaehmop): * gnu/packages/chez.scm (stex-bootstrap): * gnu/packages/ocaml.scm (unison): (ocaml-bibtex2html): * gnu/packages/plotutils.scm (asymptote): Use new name.
2023-07-18gnu: texlive-latex-geometry -> texlive-geometry.Nicolas Goaziou
* gnu/packages/tex.scm (texlive-geometry): New variable. (texlive-latex-geometry): Deprecate variable. (texlive-xindy): * gnu/packages/chemistry.scm (yaehmop): * gnu/packages/cran.scm (r-prereg): * gnu/packages/graphviz.scm (dot2tex): * gnu/packages/maths.scm (hypre): * gnu/packages/plotutils.scm (asymptote): * gnu/packages/python-xyz.scm (python-nbconvert): * gnu/packages/sphinx.scm (python-sphinx): Use new name.
2023-03-02Merge remote-tracking branch 'savannah/master' into core-updatesChristopher Baines
Conflicts: gnu/local.mk gnu/packages/autotools.scm gnu/packages/cmake.scm gnu/packages/gnuzilla.scm gnu/packages/haskell.scm gnu/packages/pdf.scm gnu/packages/python-xyz.scm gnu/packages/samba.scm gnu/packages/tex.scm gnu/packages/tls.scm gnu/packages/wxwidgets.scm
2023-02-19gnu: Use HTTPS package home pages wherever possible.Tobias Geerinckx-Rice
* gnu/packages/accessibility.scm (florence)[home-page]: Use HTTPS. * gnu/packages/admin.scm (netcat, nmon)[home-page]: Likewise. * gnu/packages/algebra.scm (mpfrcx, cm, flint, fftw, r-dtt)[home-page]: Likewise. * gnu/packages/apr.scm (apr, apr-util)[home-page]: Likewise. * gnu/packages/aspell.scm (aspell-dict-it)[home-page]: Likewise. * gnu/packages/astronomy.scm (casacore, sextractor, libnova) (xplanet)[home-page]: Likewise. * gnu/packages/audio.scm (libtimidity, alsa-modular-synth, azr3, tao) (freepats, rakarrack, liblo, libshout-idjc, timidity++, libsbsms) (libmodplug, libxmp, xmp, sox, drc, gsm, gnaural) (streamripper)[home-page]: Likewise. * gnu/packages/authentication.scm (pamtester)[home-page]: Likewise. * gnu/packages/backup.scm (grsync)[home-page]: Likewise. * gnu/packages/bioconductor.scm (r-nmf, r-edger, r-limma) (r-plgem)[home-page]: Likewise. * gnu/packages/bioinformatics.scm (python-biom-format, bowtie, bowtie1) (bwa, crossmap, java-htsjdk, java-htsjdk-latest, java-picard) (java-picard-2.10.3, kaiju, proteinortho, rsem, rseqc, seek, samtools) (snap-aligner, subread, stringtie, r-centipede, prinseq, emboss, phylip) (libsbml)[home-page]: Likewise. * gnu/packages/build-tools.scm (tup)[home-page]: Likewise. * gnu/packages/cdrom.scm (libcddb, cdrdao, cdrtools) (cd-discid)[home-page]: Likewise. * gnu/packages/check.scm (cunit, python-nose) (python-pyhamcrest)[home-page]: Likewise. * gnu/packages/chemistry.scm (gromacs)[home-page]: Likewise. * gnu/packages/chez.scm (chez-fmt)[home-page]: Likewise. * gnu/packages/code.scm (lcov, uncrustify, cscope)[home-page]: Likewise. * gnu/packages/compression.scm (p7zip)[home-page]: Likewise. * gnu/packages/cran.scm (r-emdist, r-proj4, r-zoo, r-ggalluvial) (r-orgmassspecr, r-polychrome, r-partykit, r-rcpp, r-ff, r-emdbook) (r-fitdistrplus, r-linprog, r-geometry, r-dtw, r-fst, r-rjags) (r-intergraph, r-qualv, r-labelled, r-survey, r-coin, r-fmsb, r-tm) (r-corpcor, r-rmpfr, r-spatialextremes, r-longitudinal, r-genenet) (r-bayesm, r-seqinr, r-mpm, r-text2vec, r-rgdal, r-seewave, r-hdrcde) (r-shapes, r-anytime, r-stm, r-d3network, r-tam, r-directlabels) (r-spatstat-utils, r-spatstat-sparse, r-spatstat-data, r-spatstat-geom) (r-spatstat-core, r-spatstat-linnet, r-spatstat-random, r-spatstat) (r-rcpptoml, r-mlecens, r-seurat, r-mlearning, r-zooimage)[home-page]: Likewise. * gnu/packages/crates-io.scm (rust-nickel-0.11, rust-thrift-0.13) (rust-trust-dns-https-0.20, rust-trust-dns-native-tls-0.20) (rust-trust-dns-openssl-0.20, rust-trust-dns-proto-0.20) (rust-trust-dns-resolver-0.20, rust-trust-dns-rustls-0.20) (rust-uint-0.9, rust-yaml-rust-0.4)[home-page]: Likewise. * gnu/packages/crypto.scm (libdecaf, ccrypt)[home-page]: Likewise. * gnu/packages/curl.scm (curlpp)[home-page]: Likewise. * gnu/packages/databases.scm (python-pylibmc, unixodbc, wiredtiger) (libpqxx, mdbtools, virtuoso-ose, libdbi, libdbi-drivers) (soci)[home-page]: Likewise. * gnu/packages/debian.scm (apt-mirror)[home-page]: Likewise. * gnu/packages/debug.scm (remake)[home-page]: Likewise. * gnu/packages/disk.scm (sdparm, idle3-tools, duc)[home-page]: Likewise. * gnu/packages/django.scm (python-django-haystack)[home-page]: Likewise. * gnu/packages/djvu.scm (djvulibre, djview)[home-page]: Likewise. * gnu/packages/dns.scm (dnsmasq)[home-page]: Likewise. * gnu/packages/docbook.scm (dblatex, docbook2x)[home-page]: Likewise. * gnu/packages/documentation.scm (scrollkeeper)[home-page]: Likewise. * gnu/packages/ebook.scm (liblinebreak)[home-page]: Likewise. * gnu/packages/electronics.scm (xoscope)[home-page]: Likewise. * gnu/packages/emacs-xyz.scm (emacs-bbdb, emacs-caps-lock, emacs-djvu) (emacs-pabbrev, emacs-twittering-mode, emacs-filladapt, emacs-rudel) (emacs-stream, emacspeak, emacs-cc-mode, emacs-eldoc, emacs-jsonrpc) (emacs-gtk-look, emacs-xclip, emacs-slime-volleyball, emacs-minimap) (emacs-auto-dictionary-mode, emacs-persist, emacs-shell-command+) (emacs-map, emacs-xref, emacs-dictionary)[home-page]: Likewise. * gnu/packages/embedded.scm (sdcc)[home-page]: Likewise. * gnu/packages/engineering.scm (asco, libngspice, libspnav) (openctm)[home-page]: Likewise. * gnu/packages/erlang.scm (erlang-erlware-commons)[home-page]: Likewise. * gnu/packages/file-systems.scm (jfsutils, curlftpfs)[home-page]: Likewise. * gnu/packages/finance.scm (gbonds)[home-page]: Likewise. * gnu/packages/flashing-tools.scm (dfu-util, srecord)[home-page]: Likewise. * gnu/packages/fltk.scm (ntk)[home-page]: Likewise. * gnu/packages/fonts.scm (font-terminus, font-tex-gyre) (font-comic-neue)[home-page]: Likewise. * gnu/packages/fontutils.scm (ttf2pt1, potrace, libspiro)[home-page]: Likewise. * gnu/packages/fpga.scm (icestorm, gtkwave, gtkwave) (python-myhdl)[home-page]: Likewise. * gnu/packages/freedesktop.scm (libatasmart)[home-page]: Likewise. * gnu/packages/ftp.scm (weex)[home-page]: Likewise. * gnu/packages/game-development.scm (dds, python-tmx, sfxr, quesoglc) (eureka, plib)[home-page]: Likewise. * gnu/packages/games.scm (abe, alex4, armagetronad, barony) (foobillard++, golly, ltris, pipewalker, prboom-plus, trigger-rally) (cmatrix, pinball, pioneers, tennix, chromium-bsu, freeciv, kiki) (quakespasm, frotz, frotz-dumb-terminal, frotz-sdl, btanks) (flare-engine, chessx, barrage, cgoban, passage)[home-page]: Likewise. * gnu/packages/geo.scm (python-geopandas, saga)[home-page]: Likewise. * gnu/packages/gl.scm (freeglut, gl2ps)[home-page]: Likewise. * gnu/packages/gnome.scm (cogl, clutter-gtk, clutter-gst, bluefish) (workrave)[home-page]: Likewise. * gnu/packages/gnustep.scm (wmnd, wmfire, wmfire)[home-page]: Likewise. * gnu/packages/graph.scm (mscgen)[home-page]: Likewise. * gnu/packages/graphics.scm (assimp, alembic, ctl, agg) (opencsg)[home-page]: Likewise. * gnu/packages/graphviz.scm (gts)[home-page]: Likewise. * gnu/packages/gtk.scm (gtkspell3)[home-page]: Likewise. * gnu/packages/guile-xyz.scm (guile-irregex)[home-page]: Likewise. * gnu/packages/haskell-apps.scm (cpphs)[home-page]: Likewise. * gnu/packages/haskell-check.scm (ghc-hunit)[home-page]: Likewise. * gnu/packages/haskell-web.scm (ghc-http-client-restricted) (ghc-blaze-html, ghc-happstack-server, ghc-sourcemap)[home-page]: Likewise. * gnu/packages/haskell-xyz.scm (ghc-assoc, ghc-cairo, ghc-cborg) (ghc-csv, ghc-glob, ghc-gtk2hs-buildtools, ghc-hmatrix-gsl-stats) (ghc-intervalmap, ghc-lens-family-core, ghc-managed, ghc-mountpoints) (ghc-network-multicast, ghc-optional-args, ghc-regex, ghc-spoon) (ghc-transformers, ghc-turtle, ghc-utf8-light, ghc-wizards) (ghc-template-haskell, ghc-boot-th, ghc-binary-orphans) (ghc-postgresql-simple)[home-page]: Likewise. * gnu/packages/hexedit.scm (ht, bvi)[home-page]: Likewise. * gnu/packages/hunspell.scm (hunspell-dict-hu)[home-page]: Likewise. * gnu/packages/image-processing.scm (mia)[home-page]: Likewise. * gnu/packages/image-viewers.scm (geeqie, gpicview, luminance-hdr) (qiv)[home-page]: Likewise. * gnu/packages/image.scm (libuemf, devil, steghide, optipng, niftilib) (sng, mtpaint)[home-page]: Likewise. * gnu/packages/java-xml.scm (java-simple-xml, java-jaxp) (java-apache-xml-commons-resolver)[home-page]: Likewise. * gnu/packages/java.scm (java-cisd-base, java-cisd-args4j) (java-hamcrest-core, java-jsr305, java-eclipse-osgi) (java-eclipse-equinox-common, java-eclipse-core-jobs) (java-eclipse-equinox-registry, java-eclipse-equinox-app) (java-eclipse-equinox-preferences, java-eclipse-core-contenttype) (java-eclipse-text, java-treelayout, java-aopalliance, java-jeromq) (java-cdi-api)[home-page]: Likewise. * gnu/packages/jemalloc.scm (jemalloc-4.5.0)[home-page]: Likewise. * gnu/packages/julia-xyz.scm (julia-recipespipeline)[home-page]: Likewise. * gnu/packages/kde-internet.scm (kget)[home-page]: Likewise. * gnu/packages/kde-systemtools.scm (dolphin-plugins) (konsole)[home-page]: Likewise. * gnu/packages/kodi.scm (fstrcmp)[home-page]: Likewise. * gnu/packages/language.scm (hime, libchewing)[home-page]: Likewise. * gnu/packages/lego.scm (nqc)[home-page]: Likewise. * gnu/packages/lesstif.scm (lesstif)[home-page]: Likewise. * gnu/packages/libcanberra.scm (libcanberra)[home-page]: Likewise. * gnu/packages/libdaemon.scm (libdaemon)[home-page]: Likewise. * gnu/packages/libffi.scm (libffi)[home-page]: Likewise. * gnu/packages/libreoffice.scm (libwpd, libwpg, libwps)[home-page]: Likewise. * gnu/packages/libusb.scm (libmtp, gmtp)[home-page]: Likewise. * gnu/packages/linux.scm (e2fsprogs, extundelete, lsscsi, net-tools) (kbd, sysfsutils, cpuid, libpfm4)[home-page]: Likewise. * gnu/packages/lisp-check.scm (sbcl-ptester, sbcl-xlunit)[home-page]: Likewise. * gnu/packages/lisp-xyz.scm (sbcl-html-encode, sbcl-py-configparser) (sbcl-cl-utilities, sbcl-series, sbcl-uffi, sbcl-clsql, sbcl-sycamore) (sbcl-osicat, sbcl-hu.dwim.common, sbcl-caveman, sbcl-trivial-shell) (sbcl-trivial-benchmark, sbcl-screamer, sbcl-smug)[home-page]: Likewise. * gnu/packages/lisp.scm (lush2)[home-page]: Likewise. * gnu/packages/logging.scm (log4cpp)[home-page]: Likewise. * gnu/packages/lua.scm (lua-ldoc)[home-page]: Likewise. * gnu/packages/machine-learning.scm (mcl, openfst, rxcpp)[home-page]: Likewise. * gnu/packages/mail.scm (muchsync, procmail, sendmail) (opensmtpd-filter-dkimsign, crm114)[home-page]: Likewise. * gnu/packages/man.scm (libpipeline, man-db)[home-page]: Likewise. * gnu/packages/maths.scm (lapack, scalapack, hdf-eos5, itpp, gmsh) (metamath, p4est, armadillo, suitesparse, atlas, lpsolve, wcalc, why3) (frama-c)[home-page]: Likewise. * gnu/packages/mcrypt.scm (mcrypt, libmcrypt, libmhash)[home-page]: Likewise. * gnu/packages/minetest.scm (minetest-advtrains)[home-page]: Likewise. * gnu/packages/monitoring.scm (python-whisper, python-carbon) (hostscope)[home-page]: Likewise. * gnu/packages/mp3.scm (id3lib, libmp3splt, mp3splt, mpg321) (lame)[home-page]: Likewise. * gnu/packages/multiprecision.scm (mpc)[home-page]: Likewise. * gnu/packages/music.scm (aria-maestosa, lingot, setbfree, bristol) (portmidi, python-pyportmidi, zynaddsubfx, yoshimi, aj-snapshot) (schismtracker, midicsv, midicsv, qmidiarp, qmidiroute, dssi, tap-lv2) (shiru-lv2)[home-page]: Likewise. * gnu/packages/ncurses.scm (stfl)[home-page]: Likewise. * gnu/packages/networking.scm (lksctp-tools, mbuffer, ifstatus, bird) (tunctl, traceroute)[home-page]: Likewise. * gnu/packages/node-xyz.scm (node-mersenne)[home-page]: Likewise. * gnu/packages/ntp.scm (openntpd)[home-page]: Likewise. * gnu/packages/ocaml.scm (opam, hevea, ocaml-menhir, ocaml-piqilib) (ocaml-graph, cubicle)[home-page]: Likewise. * gnu/packages/opencl.scm (python-pyopencl)[home-page]: Likewise. * gnu/packages/package-management.scm (xstow, modules)[home-page]: Likewise. * gnu/packages/parallel.scm (xjobs)[home-page]: Likewise. * gnu/packages/pdf.scm (podofo, qpdf, xournal, impressive)[home-page]: Likewise. * gnu/packages/perl.scm (perl-math-vecstat, perltidy)[home-page]: Likewise. * gnu/packages/photo.scm (libpano13, enblend-enfuse, hugin)[home-page]: Likewise. * gnu/packages/plan9.scm (drawterm)[home-page]: Likewise. * gnu/packages/plotutils.scm (guile-charting, ploticus)[home-page]: Likewise. * gnu/packages/popt.scm (argtable, popt)[home-page]: Likewise. * gnu/packages/profiling.scm (otf2)[home-page]: Likewise. * gnu/packages/pulseaudio.scm (pulseaudio)[home-page]: Likewise. * gnu/packages/python-check.scm (python-mypy)[home-page]: Likewise. * gnu/packages/python-web.scm (python-cssutils) (python-translationstring)[home-page]: Likewise. * gnu/packages/python-xyz.scm (python-diskcache, python-doxyqml) (python-docutils, python-pexpect, python-importlib-resources) (python-simplegeneric, python-urwid, python-xlrd, python-xlwt) (python-pyasn1, python-pythondialog, python-tftpy, python-random2) (python-arcp, python-pyopengl, python-sortedcollections) (python-sortedcontainers, python-yapsy, python-pydispatcher) (python-posix-ipc)[home-page]: Likewise. * gnu/packages/qt.scm (qwt, libqglviewer, signond)[home-page]: Likewise. * gnu/packages/radio.scm (unixcw, gnuais)[home-page]: Likewise. * gnu/packages/raspberry-pi.scm (bcm2835)[home-page]: Likewise. * gnu/packages/rdf.scm (clucene, rasqal, redland)[home-page]: Likewise. * gnu/packages/regex.scm (tre)[home-page]: Likewise. * gnu/packages/rsync.scm (librsync)[home-page]: Likewise. * gnu/packages/ruby.scm (ruby-packnga, ruby-nokogiri, ruby-oj, ruby-ox) (ruby-sinatra, ruby-citrus, ruby-cbor, ruby-roda)[home-page]: Likewise. * gnu/packages/scheme.scm (scheme48, tinyscheme)[home-page]: Likewise. * gnu/packages/screen.scm (dtach)[home-page]: Likewise. * gnu/packages/scsi.scm (sg3-utils)[home-page]: Likewise. * gnu/packages/sdl.scm (libmikmod, sdl-pango)[home-page]: Likewise. * gnu/packages/shellutils.scm (hstr, rig)[home-page]: Likewise. * gnu/packages/simulation.scm (python-dolfin-adjoint)[home-page]: Likewise. * gnu/packages/smalltalk.scm (smalltalk)[home-page]: Likewise. * gnu/packages/speech.scm (espeak)[home-page]: Likewise. * gnu/packages/stalonetray.scm (stalonetray)[home-page]: Likewise. * gnu/packages/statistics.scm (jags, r-mass, r-class, r-lattice) (r-matrix, r-nnet, r-spatial, r-bit, r-bit64, r-digest, r-xtable) (python-statsmodels, r-ade4, r-latticeextra, r-rcurl, r-xml, r-mvtnorm) (r-robustbase, r-minqa, r-fdrtool, java-jdistlib, xlispstat)[home-page]: Likewise. * gnu/packages/swig.scm (swig)[home-page]: Likewise. * gnu/packages/task-management.scm (wtime)[home-page]: Likewise. * gnu/packages/tcl.scm (itcl, tclxml, tclx)[home-page]: Likewise. * gnu/packages/terminals.scm (libtermkey, mlterm, libvterm) (libvterm)[home-page]: Likewise. * gnu/packages/tex.scm (texlive-lm, texlive-lm-math, texlive-cs) (texlive-csplain, biber, texmaker)[home-page]: Likewise. * gnu/packages/text-editors.scm (joe)[home-page]: Likewise. * gnu/packages/textutils.scm (drm-tools, docx2txt)[home-page]: Likewise. * gnu/packages/tv.scm (tvtime)[home-page]: Likewise. * gnu/packages/unicode.scm (libunibreak)[home-page]: Likewise. * gnu/packages/upnp.scm (libupnp)[home-page]: Likewise. * gnu/packages/version-control.scm (cvs)[home-page]: Likewise. * gnu/packages/video.scm (transcode, libquicktime, mjpegtools, aalib) (liba52, libmpeg2, x265, libdv, dvdauthor, aegisub, pitivi, gavl) (dvdbackup, guvcview, video-contact-sheet)[home-page]: Likewise. * gnu/packages/virtualization.scm (bochs)[home-page]: Likewise. * gnu/packages/w3m.scm (w3m)[home-page]: Likewise. * gnu/packages/web.scm (qjson, libquvi-scripts, libquvi, quvi) (tidy-html, htmlcxx)[home-page]: Likewise. * gnu/packages/wm.scm (evilwm, menumaker)[home-page]: Likewise. * gnu/packages/wv.scm (wv)[home-page]: Likewise. * gnu/packages/wxwidgets.scm (wxsvg)[home-page]: Likewise. * gnu/packages/xdisorg.scm (mtdev, xsel)[home-page]: Likewise. * gnu/packages/xfig.scm (xfig, transfig)[home-page]: Likewise. * gnu/packages/xml.scm (openjade, python-pyxb, xmlstarlet, xmlrpc-c) (opensp)[home-page]: Likewise. * gnu/packages/xorg.scm (xf86-video-qxl)[home-page]: Likewise.
2023-02-16gnu: Remove unneeded module imports.Efraim Flashner
* gnu/packages/abiword.scm, * gnu/packages/ada.scm, * gnu/packages/agda.scm, * gnu/packages/backup.scm, * gnu/packages/barrier.scm, * gnu/packages/bioinformatics.scm, * gnu/packages/bootstrap.scm, * gnu/packages/bqn.scm, * gnu/packages/c.scm, * gnu/packages/chemistry.scm, * gnu/packages/coq.scm, * gnu/packages/cross-base.scm, * gnu/packages/databases.scm, * gnu/packages/emacs-xyz.scm, * gnu/packages/enlightenment.scm, * gnu/packages/games.scm, * gnu/packages/geo.scm, * gnu/packages/ghostscript.scm, * gnu/packages/gl.scm, * gnu/packages/golang.scm, * gnu/packages/jami.scm, * gnu/packages/java-maths.scm, * gnu/packages/kde-frameworks.scm, * gnu/packages/kde-plasma.scm, * gnu/packages/language.scm, * gnu/packages/libreoffice.scm, * gnu/packages/linphone.scm, * gnu/packages/lisp.scm, * gnu/packages/llvm.scm, * gnu/packages/machine-learning.scm, * gnu/packages/minetest.scm, * gnu/packages/monitoring.scm, * gnu/packages/nfs.scm, * gnu/packages/ocr.scm, * gnu/packages/opencl.scm, * gnu/packages/pdf.scm, * gnu/packages/python-xyz.scm, * gnu/packages/racket.scm, * gnu/packages/rust.scm, * gnu/packages/syncthing.scm, * gnu/packages/syndication.scm, * gnu/packages/telegram.scm, * gnu/packages/vulkan.scm, * gnu/packages/web-browsers.scm, * gnu/packages/web.scm, * gnu/packages/webkit.scm: Remove some unecessary module imports.
2023-01-30gnu: texlive-graphics: Use over deprecated texlive-latex-graphics.Efraim Flashner
* gnu/packages/bioinformatics.scm (phyml)[native-inputs], * gnu/packages/chemistry.scm (yaehmop)[native-inputs], * gnu/packages/graphviz.scm (dot2tex)[propagated-inputs], * gnu/packages/maths.scm (cddlib)[native-inputs], * gnu/packages/statistics.scm (r-with-tests)[native-inputs], * gnu/packages/tex.scm (texlive-apa6)[propagated-inputs]: Replace texlive-latex-graphics with texlive-graphics.
2023-01-12gnu: gromacs: Mark as tunable.Ludovic Courtès
* gnu/packages/chemistry.scm (gromacs)[properties]: New field.
2023-01-10gnu: gromacs: Remove input labels and use gexps.Ludovic Courtès
* gnu/packages/chemistry.scm (gromacs)[arguments]: Turn into gexps. [native-inputs]: Remove labels. Remove (package-source googletest).
2023-01-10gnu: gromacs: Update to 2022.4.Ludovic Courtès
* gnu/packages/chemistry.scm (gromacs): Update to 2022.4. * gnu/packages/patches/gromacs-tinyxml2.patch: Adjust accordingly.
2022-10-27gnu: python-setuptools: Move to python-build.Lars-Dominik Braun
* gnu/packages/python-xyz.scm (python-setuptools): Move… * gnu/packages/python-build.scm: …here. * gnu/packages/chemistry.scm, gnu/packages/messaging.scm, gnu/packages/sequoia.scm, tests/lint.scm: Adjust module imports accordingly. Co-authored-by: Marius Bakke <marius@gnu.org>
2022-10-15gnu: Add rdkit.David Elsing
* gnu/packages/chemistry.scm (rdkit): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add ringdecomposerlib.David Elsing
* gnu/packages/chemistry.scm (ringdecomposerlib): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add avalon-toolkit.David Elsing
* gnu/packages/chemistry.scm (avalon-toolkit): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add yaehmop.David Elsing
* gnu/packages/chemistry.scm (yaehmop): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add coordgenlibs.David Elsing
* gnu/packages/chemistry.scm (coordgenlibs): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add maeparser.David Elsing
* gnu/packages/chemistry.scm (maeparser): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add freesasa.David Elsing
* gnu/packages/chemistry.scm (freesasa): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add gemmi.David Elsing
* gnu/packages/patches/gemmi-fix-pegtl-usage.patch: New file. * gnu/packages/patches/gemmi-fix-sajson-types.patch: New file. * gnu/local.mk (dist_patch_DATA): Register them here. * gnu/packages/chemistry.scm (gemmi): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-10-15gnu: Add sajson-for-gemmi.David Elsing
* gnu/packages/cpp.scm (sajson-for-gemmi): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
2022-09-15gnu: catch-framework2: Rename variable to catch2.Maxim Cournoyer
Automated with: git grep -l catch-framework2 | xargs sed 's/catch-framework2/catch2/g' -i
2022-05-31gnu: Remove python2-numpy.Maxim Cournoyer
* gnu/packages/python-xyz.scm (python2-numpy): Delete variable. (python2-numpy-1.8): Likewise. (python-numpy)[properties]: Delete field. * gnu/packages/maths.scm (flann): Delete comment. * gnu/packages/chemistry.scm (with-numpy-1.8): Delete procedure.
2022-05-31gnu: Remove nmoldyn.Maxim Cournoyer
* gnu/packages/chemistry.scm (nmoldyn): Delete variable.
2022-05-31gnu: Remove domainfinder.Maxim Cournoyer
* gnu/packages/chemistry.scm (domainfinder): Delete variable.
2021-12-13gnu: Simplify package inputs.Ludovic Courtès
This commit was obtained by running: ./pre-inst-env guix style without any additional argument.
2021-10-12Merge remote-tracking branch 'origin/master' into core-updates-frozen.Mathieu Othacehe
2021-09-20gnu: Add python-pymol.Ricardo Wurmus
* gnu/packages/chemistry.scm (python-pymol): New variable.
2021-07-24gnu: Use 'search-input-file' when looking for executables.Ludovic Courtès
* gnu/packages/admin.scm (isc-dhcp): Use 'search-input-file' when looking for executables. * gnu/packages/audio.scm (ableton-link): Likewise. * gnu/packages/benchmark.scm (fio): Likewise. * gnu/packages/bioinformatics.scm (roary): Likewise. (ngless): Likewise. * gnu/packages/boost.scm (boost-for-irods): Likewise. * gnu/packages/bootloaders.scm (grub): Likewise. (grub-efi): Likewise. * gnu/packages/chemistry.scm (inchi): Likewise. * gnu/packages/dictionaries.scm (ding): Likewise. * gnu/packages/dlang.scm (ldc): Likewise. * gnu/packages/education.scm (childsplay): Likewise. * gnu/packages/emacs-xyz.scm (emacs-hyperbole): Likewise. (emacs-haskell-mode): Likewise. (emacs-auctex): Likewise. (emacs-ggtags): Likewise. (emacs-graphviz-dot-mode): Likewise. (emacs-flycheck-grammalecte): Likewise. (emacs-counsel-notmuch): Likewise. (emacspeak): Likewise. (emacs-exwm): Likewise. (emacs-exwm-x): Likewise. (emacs-treemacs): Likewise. (emacs-telega): Likewise. (emacs-exiftool): Likewise. * gnu/packages/emulators.scm (higan): Likewise. * gnu/packages/engineering.scm (freehdl): Likewise. (librepcb): Likewise. * gnu/packages/entr.scm (entr): Likewise. * gnu/packages/file-systems.scm (libeatmydata): Likewise. (xfstests): Likewise. (mergerfs): Likewise. (mergerfs-tools): Likewise. * gnu/packages/finance.scm (monero-gui): Likewise. * gnu/packages/flashing-tools.scm (flashrom): Likewise. * gnu/packages/fontutils.scm (fontforge): Likewise. * gnu/packages/game-development.scm (python2-renpy): Likewise. * gnu/packages/games.scm (opensurge): Likewise. (xboard): Likewise. (hyperrogue): Likewise. (flare-game): Likewise. (chessx): Likewise. * gnu/packages/geo.scm (grass): Likewise. * gnu/packages/glib.scm (glib): Likewise. * gnu/packages/gnome.scm (mm-common): Likewise. (network-manager-openvpn): Likewise. (network-manager-vpnc): Likewise. (network-manager-openconnect): Likewise. (apostrophe): Likewise. * gnu/packages/gnupg.scm (pius): Likewise. (jetring): Likewise. * gnu/packages/gnuzilla.scm (icedove): Likewise. * gnu/packages/golang.scm (go-1.4): Likewise. * gnu/packages/graphviz.scm (xdot): Likewise. * gnu/packages/guile-xyz.scm (jupyter-guile-kernel): Likewise. * gnu/packages/haskell-xyz.scm (ghc-hindent): Likewise. * gnu/packages/ibus.scm (ibus): Likewise. * gnu/packages/image.scm (phockup): Likewise. * gnu/packages/irc.scm (quassel): Likewise. * gnu/packages/java.scm (drip): Likewise. (ant-bootstrap): Likewise. (tla2tools): Likewise. * gnu/packages/julia.scm (julia): Likewise. * gnu/packages/less.scm (lesspipe): Likewise. * gnu/packages/libreoffice.scm (libreoffice): Likewise. * gnu/packages/linux.scm (fuse): Likewise. (lm-sensors): Likewise. (bluez): Likewise. (fakeroot): Likewise. (inputattach): Likewise. * gnu/packages/lisp-xyz.scm (sbcl-cl-diskspace): Likewise. * gnu/packages/lisp.scm (lisp-repl-core-dumper): Likewise. * gnu/packages/lua.scm (fennel): Likewise. * gnu/packages/lxde.scm (spacefm): Likewise. * gnu/packages/mail.scm (public-inbox): Likewise. * gnu/packages/maths.scm (hdf-java): Likewise. (maxima): Likewise. (frama-c): Likewise. * gnu/packages/messaging.scm (libgadu): Likewise. * gnu/packages/music.scm (denemo): Likewise. (curseradio): Likewise. * gnu/packages/netpbm.scm (netpbm): Likewise. * gnu/packages/networking.scm (blueman): Likewise. (squid): Likewise. (aircrack-ng): Likewise. * gnu/packages/node.scm (node): Likewise. (node-llparse-frontend-bootstrap): Likewise. (node-llparse-bootstrap): Likewise. (llhttp-bootstrap): Likewise. (node-lts): Likewise. * gnu/packages/ocaml.scm (ocaml-4.11): Likewise. (opam): Likewise. (ocaml-graph): Likewise. * gnu/packages/orpheus.scm (orpheus): Likewise. * gnu/packages/password-utils.scm (password-store): Likewise. * gnu/packages/python.scm (pypy3): Likewise. * gnu/packages/qt.scm (qt5ct): Likewise. * gnu/packages/radio.scm (libosmo-dsp): Likewise. * gnu/packages/ruby.scm (ruby-pandoc-ruby): Likewise. * gnu/packages/rust.scm (rust-1.30): Likewise. * gnu/packages/screen.scm (byobu): Likewise. * gnu/packages/statistics.scm (r-with-tests): Likewise. * gnu/packages/suckless.scm (surf): Likewise. * gnu/packages/syndication.scm (gfeeds): Likewise. * gnu/packages/telephony.scm (mumble): Likewise. * gnu/packages/terminals.scm (alacritty): Likewise. * gnu/packages/tex.scm (texlive-bin): Likewise. * gnu/packages/uml.scm (plantuml): Likewise. * gnu/packages/version-control.scm (python-git-multimail): Likewise. (gitolite): Likewise. (hg-commitsigs): Likewise. (git-when-merged): Likewise. (git-imerge): Likewise. (gita): Likewise. * gnu/packages/video.scm (you-get): Likewise. * gnu/packages/vim.scm (eovim): Likewise. * gnu/packages/virtualization.scm (qemu): Likewise. (virt-manager): Likewise. (criu): Likewise. * gnu/packages/vpn.scm (strongswan): Likewise. (xl2tpd): Likewise. * gnu/packages/wm.scm (i3lock-fancy): Likewise. * gnu/packages/wxwidgets.scm (python-wxpython): Likewise. (python2-wxpython): Likewise. * gnu/packages/xdisorg.scm (autorandr): Likewise. * gnu/packages/xorg.scm (hackneyed-x11-cursors): Likewise. (v86d): Likewise. (mkfontdir): Likewise. (xpra): Likewise.
2021-06-14gnu: Rename qtbase to qtbase-5.Maxim Cournoyer
This change was automated via the following command: $ git ls-files | xargs sed -i 's/,qtbase)/,qtbase-5)/g' $ git ls-files | xargs sed -i 's/inherit qtbase)/inherit qtbase-5)/g' $ git ls-files | xargs sed -i 's/package-version qtbase)/package-version qtbase-5)/g' $ git checkout etc # to clear some spurious changes This is done so the qtbase package can be upgraded to version 6 in the following commit.
2021-02-01gnu: openbabel: Update to 3.1.1.Kei Kebreau
* gnu/packages/chemistry.scm (openbabel): Update to 3.1.1. [source]: Update URI. [arguments]: Temporarily skip tests on i686-linux.
2021-02-01gnu: inchi: Update to 1.06.Kei Kebreau
* gnu/packages/chemistry.scm (inchi): Update to 1.06. [source]: Use HTTPS. [native-inputs]: Update inchi-doc hash.
2021-01-29gnu: Remove avogadro.Leo Famulari
This package fails to build and has been superseded by avogadro2. * gnu/packages/chemistry.scm (avogadro): Remove variable. * gnu/packages/patches/avogadro-boost148.patch, gnu/packages/patches/avogadro-eigen3-update.patch, gnu/packages/patches/avogadro-python-eigen-lib.patch: Delete files. * gnu/local.mk (dist_patch_DATA): Remove them.
2021-01-25gnu: Add avogadro2.Kei Kebreau
* gnu/packages/chemistry.scm (avogadro2): New variable.
2021-01-25gnu: Add avogadrolibs.Kei Kebreau
* gnu/packages/chemistry.scm (avogadrolibs): New variable.
2021-01-25gnu: Add libmsym.Kei Kebreau
* gnu/packages/chemistry.scm (libmsym): New variable.
2021-01-25gnu: Add molequeue.Kei Kebreau
* gnu/packages/chemistry.scm (molequeue): New variable.
2021-01-25gnu: Add mmtf-cpp.Kei Kebreau
* gnu/packages/chemistry.scm (mmtf-cpp): New variable.