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Author SHA1 Message Date
R. RyanTM f64fb8bd31 jmol: 14.31.39 -> 14.31.41 2021-06-22 19:47:51 -07:00
Johannes Arnold 0d635e2646 element: init at 1.0.0 2021-06-21 00:20:26 +02:00
github-actions[bot] 6d73490cb4
Merge master into staging-next 2021-05-26 01:11:31 +00:00
R. RyanTM cb70ce62ab marvin: 21.3.0 -> 21.9.0 2021-05-23 02:24:31 +00:00
Michael Raskin d0fd8a029d
Merge pull request #123281 from r-ryantm/auto-update/jmol 
jmol: 14.31.38 -> 14.31.39
 2021-05-21 19:42:56 +00:00
Markus Kowalewski 40f276c07d
openmolcas: 20.10 -> 21.02 2021-05-19 13:44:46 +02:00
R. RyanTM ea5ad2b8e0 gwyddion: 2.57 -> 2.58 2021-05-17 11:49:58 -07:00
R. RyanTM 9682a2a496 jmol: 14.31.38 -> 14.31.39 2021-05-16 19:52:36 +00:00
R. RyanTM 4ff0c782a3 jmol: 14.31.36 -> 14.31.38 2021-05-09 20:32:06 +00:00
R. RyanTM 5b7a76e2a6 jmol: 14.31.35 -> 14.31.36 2021-04-29 12:39:03 +00:00
R. RyanTM 3b3f141837 marvin: 21.2.0 -> 21.3.0 2021-03-25 17:58:45 +00:00
R. RyanTM 8ab6893632 jmol: 14.31.34 -> 14.31.35 2021-03-23 11:29:06 +00:00
Sandro 593cc0d5ee
Merge pull request #111224 from r-ryantm/auto-update/gwyddion 
gwyddion: 2.56 -> 2.57
 2021-03-21 05:22:26 +01:00
R. RyanTM 29bf7e2b89 jmol: 14.31.32 -> 14.31.34 2021-03-14 01:06:53 -05:00
R. RyanTM da4b660561 jmol: 14.31.24 -> 14.31.32 2021-03-08 15:48:47 -05:00
Lio李歐 51512d843a
quantum-espresso: enable on darwin 2021-03-03 19:40:47 -08:00
R. RyanTM 4d89f50881 jmol: 14.31.18 -> 14.31.24 2021-02-26 21:10:01 -05:00
R. RyanTM be145107b3 marvin: 21.1.0 -> 21.2.0 2021-02-10 14:38:25 +00:00
AndersonTorres 7e481eed2d chemtool: init at 1.6.14 2021-02-03 08:48:32 -03:00
Markus Kowalewski d23e5ca0b4
openmolcas: fix license 2021-02-01 13:28:51 +01:00
Markus Kowalewski 56bf82e8a1
molden: fix outdated URLs 2021-01-31 18:08:02 +01:00
R. RyanTM 19842bc24d marvin: 20.21.0 -> 21.1.0 2021-01-30 17:14:01 +00:00
R. RyanTM efb1662586 gwyddion: 2.56 -> 2.57 2021-01-29 22:49:53 +00:00
Pavol Rusnak a6ce00c50c
treewide: remove stdenv where not needed 2021-01-25 18:31:47 +01:00
Markus Kowalewski 6dba41fbcb
mpi: use mpi attribute consistently as the default MPI implementations 
Use the attribute mpi to provide a system wide default MPI
implementation. The default is openmpi (as before).
This now allows for overriding the MPI implentation by using
the overlay mechanism. Build all packages with mpich instead
of the default openmpi can now be achived like this:
self: super:
 {
   mpi = super.mpich;
 }

All derivations that have been using "mpi ? null" to provide optional
building with MPI have been change in the following way to allow for
optional builds with MPI:
{ ...
, mpi
, useMpi ? false
}
 2021-01-23 12:15:13 +01:00
Ryan Mulligan 33784b7228
Merge pull request #110086 from r-ryantm/auto-update/marvin 
marvin: 20.20.0 -> 20.21.0
 2021-01-20 23:38:00 -08:00
zowoq 932941b79c treewide: editorconfig fixes 
- remove trailing whitespace
- use spaces for indentation
 2021-01-21 13:29:54 +10:00
R. RyanTM 26dba9209f marvin: 20.20.0 -> 20.21.0 2021-01-20 05:27:37 +00:00
Jonathan Ringer 9bb3fccb5b treewide: pkgs.pkgconfig -> pkgs.pkg-config, move pkgconfig to alias.nix 
continuation of #109595

pkgconfig was aliased in 2018, however, it remained in
all-packages.nix due to its wide usage. This cleans
up the remaining references to pkgs.pkgsconfig and
moves the entry to aliases.nix.

python3Packages.pkgconfig remained unchanged because
it's the canonical name of the upstream package
on pypi.
 2021-01-19 01:16:25 -08:00
Sandro Jäckel 197eace081
avogadro: update maintainers 2021-01-18 00:21:49 +01:00
Ben Siraphob badf51221d treewide: stdenv.lib -> lib 2021-01-16 17:58:11 +07:00
Profpatsch 4a7f99d55d treewide: with stdenv.lib; in meta -> with lib; 
Part of: https://github.com/NixOS/nixpkgs/issues/108938

meta = with stdenv.lib;

is a widely used pattern. We want to slowly remove
the `stdenv.lib` indirection and encourage people
to use `lib` directly. Thus let’s start with the meta
field.

This used a rewriting script to mostly automatically
replace all occurances of this pattern, and add the
`lib` argument to the package header if it doesn’t
exist yet.

The script in its current form is available at
https://cs.tvl.fyi/depot@2f807d7f141068d2d60676a89213eaa5353ca6e0/-/blob/users/Profpatsch/nixpkgs-rewriter/default.nix
 2021-01-11 10:38:22 +01:00
github-actions[bot] 433c7b069c
Merge master into staging-next 2021-01-10 01:03:35 +00:00
Markus Kowalewski 14caa4b2bf
octopus: 10.0 -> 10.3 2021-01-09 16:32:49 +01:00
Markus Kowalewski 0961d5b998
octopus: update licenses 2021-01-09 16:32:49 +01:00
Frederik Rietdijk b20838eb4a Merge staging-next into staging 2021-01-04 20:51:32 +01:00
markuskowa d480c86858
Merge pull request #107223 from markuskowa/upd-qe 
quantum-espresso: 6.5 -> 6.6
 2021-01-04 14:33:37 +01:00
Ben Siraphob 3ae5e6ce03 treewide: remove enableParallelBuilding = true if using cmake 2021-01-03 18:37:40 +07:00
Markus Kowalewski 1ba79ed57f
openmolcas: set platform to x86-64-linux 
This is the main development platforms. Others are not
officially supported.
 2020-12-26 16:58:58 +01:00
Markus Kowalewski c3fadb95f4
openmolcas: fix fallout from #83888 
Removed non-functional lines.
Openmolcas does not build with the blas/lapack switching mechanism
 2020-12-26 01:55:46 +01:00
Markus Kowalewski 7139a58f50
quantum-espresso: 6.5 -> 6.6 2020-12-19 21:14:40 +01:00
Markus Kowalewski e90cff90f1
openmolcas: fix hash 2020-11-30 23:05:14 +01:00
R. RyanTM e5f757954a jmol: 14.31.17 -> 14.31.18 2020-11-28 06:51:19 +00:00
Timo Kaufmann e04721b289
Merge pull request #104083 from timokau/sage-maintainers-team 
maintainers: create sage team
 2020-11-19 19:20:49 +01:00
R. RyanTM 5a4772e260 marvin: 20.19.0 -> 20.20.0 2020-11-18 21:03:39 +00:00
Timo Kaufmann ff8338343b maintainers: create sage team 
Maintaining all the packages whose updates might break some aspect of
sage.

For reference:
https://github.com/NixOS/nixpkgs/pull/103810#issuecomment-727536510
 2020-11-18 21:27:37 +01:00
R. RyanTM dd8591d752 jmol: 14.31.14 -> 14.31.17 2020-11-13 22:05:46 +00:00
Ryan Mulligan 4ee1f7bc2c
Merge pull request #102582 from r-ryantm/auto-update/marvin 
marvin: 20.17.0 -> 20.19.0
 2020-11-03 14:56:38 -08:00
R. RyanTM aea6594c69 marvin: 20.17.0 -> 20.19.0 2020-11-03 04:38:29 +00:00
R. RyanTM 3d40283367 jmol: 14.31.3 -> 14.31.14 2020-11-02 12:07:07 +00:00
Markus Kowalewski 2eee4e4eac
openmolcas: 19.11 -> 20.10 2020-10-19 14:13:08 +02:00
Markus Kowalewski 8b02ff6b8e
openmolcas: fix build w.r.t. openblas 
Fall out from switching openblas over to multiple outputs:
https://github.com/NixOS/nixpkgs/pull/98337
 2020-10-19 14:00:48 +02:00
R. RyanTM 0765b507f9 jmol: 14.31.2 -> 14.31.3 2020-09-23 23:36:41 -07:00
R. RyanTM ee4c871ecd marvin: 20.16.0 -> 20.17.0 2020-08-26 12:52:34 +00:00
Rohit Goswami 620f9049ae
d-seams: init at 1.0.1 2020-08-15 19:36:04 +00:00
Ryan Mulligan ea39525ae7
Merge pull request #94779 from r-ryantm/auto-update/marvin 
marvin: 20.15.0 -> 20.16.0
 2020-08-09 12:45:42 -07:00
Markus Kowalewski 6c2f1e7f6b
octopus: 9.2 -> 10.0 2020-08-07 12:53:54 +02:00
R. RyanTM 4e6f70eaf8 marvin: 20.15.0 -> 20.16.0 2020-08-06 10:10:49 +00:00
Timo Kaufmann 9aab32b51c
Merge pull request #92796 from r-ryantm/auto-update/jmol 
jmol: 14.31.0 -> 14.31.2
 2020-07-09 18:43:50 +02:00
R. RyanTM 46e8ec7927 jmol: 14.31.0 -> 14.31.2 2020-07-09 14:44:34 +00:00
R. RyanTM 02fe1ec6ec gwyddion: 2.55 -> 2.56 2020-07-07 10:11:50 -07:00
R. RyanTM c0ebe721a9 marvin: 20.13.0 -> 20.15.0 2020-07-05 15:06:16 +00:00
Ryan Mulligan d456800b17
Merge pull request #90045 from r-ryantm/auto-update/marvin 
marvin: 20.12.0 -> 20.13.0
 2020-06-10 06:01:10 -07:00
R. RyanTM 0f890be404 marvin: 20.12.0 -> 20.13.0 2020-06-10 12:01:26 +00:00
R. RyanTM c04e2c41ca jmol: 14.30.2 -> 14.31.0 2020-06-10 03:50:47 +00:00
Markus Kowalewski 5dbe275aac
molden: 6.2 -> 6.3 2020-06-06 23:41:01 +02:00
R. RyanTM f4e01832ed marvin: 20.10.0 -> 20.12.0 2020-05-27 12:11:37 -07:00
R. RyanTM bdcefc1053 marvin: 20.9.0 -> 20.10.0 2020-05-06 23:16:23 -07:00
Matthew Bauer ff2f2644f8 blas,lapack: use isILP64 instead of is64bit 
This is a better name since we have multiple 64-bit things that could
be referred to.

LP64  : integer=32, long=64, pointer=64
ILP64 : integer=64, long=64, pointer=64
 2020-04-20 16:02:43 -05:00
Matthew Bauer 1c8aba8334 treewide: use blas and lapack 
This makes packages use lapack and blas, which can wrap different
BLAS/LAPACK implementations.

treewide: cleanup from blas/lapack changes

A few issues in the original treewide:

- can’t assume blas64 is a bool
- unused commented code
 2020-04-17 16:24:09 -05:00
Michael Reilly 84cf00f980
treewide: Per RFC45, remove all unquoted URLs 2020-04-10 17:54:53 +01:00
Constantine Glen Evans cacbbe92bf
gwyddion: add darwin support 
Gwyddion will build on Darwin, but gnome2.gtkglext is broken there,
and so I am disabling it as an optional dependency here when building
on Darwin.
 2020-04-01 17:50:36 -07:00
R. RyanTM 1d349b8512 marvin: 20.6.0 -> 20.9.0 2020-03-30 04:02:45 +00:00
Constantine Glen Evans 59fbc7acba gwyddion: 2.48 -> 2.55 (and add options) 
Gwyddion has a large number of optional dependencies. In this update,
those dependencies have been added with options set mostly to true,
and an option (default false) for working Python 2.7 support in the
program and in Python has been added. I have also added myself as a
maintainer as no maintainer is currently set.
 2020-03-27 10:56:00 -07:00
markuskowa dbb9fab27f
Merge pull request #81604 from markuskowa/upd-octopus 
octopus: 9.1 -> 9.2
 2020-03-03 12:45:16 +01:00
markuskowa 4822d61252
Merge pull request #80977 from r-ryantm/auto-update/quantum-espresso 
quantum-espresso: 6.4.1 -> 6.5
 2020-03-03 11:09:30 +01:00
Markus Kowalewski eebd6fe75a
octopus: 9.1 -> 9.2 2020-03-03 10:54:23 +01:00
Brenton Horne b07eb54048 marvin: 20.4.0 -> 20.6.0 2020-03-02 21:50:25 +01:00
R. RyanTM 56d58ecb24 quantum-espresso: 6.4.1 -> 6.5 2020-02-24 19:40:14 +00:00
Brenton Horne 567be48707 marvin: 20.3.0 -> 20.4.0 2020-02-10 19:55:13 +01:00
R. RyanTM 20f22f681f marvin: 19.27.0 -> 20.3.0 2020-02-08 19:34:35 +00:00
R. RyanTM 097737b5a4 jmol: 14.30.1 -> 14.30.2 2020-02-01 03:50:56 +00:00
samlich 3376628557
pymol: cleanup 2020-01-25 19:58:36 +00:00
samlich 77317774ce
pymol: link desktop icon 2020-01-24 19:51:08 +00:00
samlich 3638755ff3
pymol: add samlich as maintainer 2020-01-24 19:49:38 +00:00
samlich 97410b59f3
pymol: 2.1.0 -> 2.3.0 2020-01-24 19:42:59 +00:00
Markus Kowalewski a74b248f06
openmolcas: 18.09 -> 19.11 2020-01-07 15:36:59 +01:00
markuskowa b06114f078
Merge pull request #76311 from r-ryantm/auto-update/marvin 
marvin: 19.23.0 -> 19.27.0
 2020-01-04 12:24:48 +01:00
Markus Kowalewski 63d62699e0
marvin: 19.25.0 -> 19.27.0 2019-12-25 15:11:16 +01:00
R. RyanTM cf6d80a89d marvin: 19.23.0 -> 19.25.0 2019-12-23 13:15:32 -08:00
R. RyanTM 398f11945e jmol: 14.30.0 -> 14.30.1 2019-12-23 09:16:44 -08:00
markuskowa 444256039c
Merge pull request #75245 from r-ryantm/auto-update/jmol 
jmol: 14.29.55 -> 14.30.0
 2019-12-08 14:19:56 +01:00
R. RyanTM b40940e9d6 jmol: 14.29.55 -> 14.30.0 2019-12-08 04:52:52 -08:00
R. RyanTM 8582e5a759 marvin: 19.1.0 -> 19.23.0 2019-12-07 20:41:41 +01:00
Frederik Rietdijk 5f8b0d7d99 Merge staging-next into staging 2019-11-19 14:53:29 +01:00
adisbladis c9d8624ccd
treewide: Get rid of libGLU_combined 2019-11-18 20:10:43 +00:00
c0bw3b 9367367dfd Treewide: fix URL permanent redirects 
Permanent redirects on homepages and/or source URLs
as reported by Repology
 2019-11-16 01:41:23 +01:00
R. RyanTM b3799c5627 jmol: 14.29.54 -> 14.29.55 2019-11-02 00:16:58 -07:00
R. RyanTM dbab6b7994 jmol: 14.29.53 -> 14.29.54 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-10-22 10:06:52 +02:00
Linus Heckemann 5aa4b19946 treewide: mark some broken packages as broken 
Refs:
e6754980264fe927320d5ff2dbd24ca4fac9a160
1e9cc5b9844ef603fe160e9f671178f96200774f
793a2fe1e8bb886ca2096c5904e1193dc3268b6d
c19cf65261639f749012454932a532aa7c681e4b
f6544d618f30fae0bc4798c4387a8c7c9c047a7c
 2019-10-08 17:14:26 +02:00
R. RyanTM 0826d695de jmol: 14.29.49 -> 14.29.53 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-09-26 16:35:12 -07:00
volth 7b8fb5c06c treewide: remove redundant quotes 2019-09-08 23:38:31 +00:00
volth 08f68313a4 treewide: remove redundant rec 2019-08-28 11:07:32 +00:00
Vladimír Čunát 2e6bf42a22
Merge branch 'master' into staging-next 
There ver very many conflicts, basically all due to
name -> pname+version.  Fortunately, almost everything was auto-resolved
by kdiff3, and for now I just fixed up a couple evaluation problems,
as verified by the tarball job.  There might be some fallback to these
conflicts, but I believe it should be minimal.

Hydra nixpkgs: ?compare=1538299
 2019-08-24 08:55:37 +02:00
Markus Kowalewski a81bb36249
octopus: 9.0 -> 9.1 
* switch to GitLab download
* cleanup fftw dependence
 2019-08-19 10:24:44 +02:00
volth c814d72b51 treewide: name -> pname 2019-08-17 10:54:38 +00:00
Frederik Rietdijk fe9a3e3e63 Merge staging-next into staging 2019-08-17 09:39:23 +02:00
volth 46420bbaa3 treewide: name -> pname (easy cases) (#66585) 
treewide replacement of

stdenv.mkDerivation rec {
  name = "*-${version}";
  version = "*";

to pname
 2019-08-15 13:41:18 +01:00
Markus Kowalewski 5b0bbcbb6e
molden: 6.1 -> 6.2 2019-08-15 09:35:34 +02:00
R. RyanTM 5bb58479d7 jmol: 14.29.46 -> 14.29.49 (#65951) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-08-04 22:09:13 +02:00
R. RyanTM 3775ef0acd jmol: 14.29.42 -> 14.29.46 (#63277) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-06-17 20:56:11 +02:00
volth f3282c8d1e treewide: remove unused variables (#63177) 
* treewide: remove unused variables

* making ofborg happy
 2019-06-16 19:59:05 +00:00
Markus Kowalewski 4df1e91b31
octopus: 8.4 -> 9.0 2019-06-11 13:02:54 +02:00
R. RyanTM df3cdc29be quantum-espresso: 6.4 -> 6.4.1 (#62556) 2019-06-04 19:24:04 +00:00
R. RyanTM e20c69619f jmol: 14.29.40 -> 14.29.42 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-06-01 17:19:25 -07:00
Markus Kowalewski dce18eefd1
molden: 5.9.5 -> 6.1 2019-05-17 13:07:53 +02:00
R. RyanTM 06aa3d6f60 jmol: 14.29.36 -> 14.29.40 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-05-01 11:10:18 +02:00
R. RyanTM c906798997 jmol: 14.29.32 -> 14.29.36 (#59546) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-04-15 12:02:41 +02:00
markuskowa e2ce5fd7fe
Merge pull request #58860 from r-ryantm/auto-update/quantum-espresso 
quantum-espresso: 6.3 -> 6.4
 2019-04-03 15:42:40 +02:00
Markus Kowalewski c109aaa5cb
quantum-espresso: remove outdated makefile fix 2019-04-03 15:00:17 +02:00
R. RyanTM 882247fc3f quantum-espresso: 6.3 -> 6.4 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/quantum-espresso/versions
 2019-04-02 15:30:36 -07:00
R. RyanTM 5f4e5553bc jmol: 14.29.31 -> 14.29.32 (#58698) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-04-01 20:12:53 +00:00
Silvan Mosberger aadb1cbe26
Merge pull request #58494 from markuskowa/upd-octopus 
octopus: 8.3 -> 8.4
 2019-03-29 20:43:28 +01:00
Markus Kowalewski 3c19324e2a
octopus: 8.3 -> 8.4 2019-03-28 18:00:41 +01:00
Markus Kowalewski 6ea9c0243b
molden: 5.9.3 -> 5.9.5 2019-03-28 17:39:15 +01:00
Timo Kaufmann dbc771f2e1
Merge pull request #55299 from r-ryantm/auto-update/jmol 
jmol: 14.29.29 -> 14.29.31
 2019-02-06 13:15:46 +01:00
Markus Kowalewski 64e9f2ad65
jmol: remove redundant name attribute 
version and pname are alrady present
 2019-02-06 12:25:25 +01:00
R. RyanTM a1360faba7 jmol: 14.29.29 -> 14.29.31 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-02-05 20:33:46 -08:00
markuskowa 9703765556 molden: 5.8.2 -> 5.9.3 (#55044) 2019-02-05 23:57:29 +02:00
Brenton Horne 6be5e679b1 marvin: init at 19.1.0 
Also adding myself (fusion809) as a maintainer.
The marvin Nix file in this commit is largely thanks to @msteen.
 2019-01-15 00:23:38 +10:00
Piotr Bogdan ae7557c4cb avogadro: fix libX11 underlinking 2019-01-04 21:13:57 +00:00
R. RyanTM b26ba90c34 jmol: 14.29.28 -> 14.29.29 (#52275) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-12-16 09:22:07 +01:00
R. RyanTM b8e09ad0b5 octopus: 8.2 -> 8.3 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/octopus/versions
 2018-12-14 19:45:56 -08:00
c0bw3b 0ea604ac1d Treewide: use https for SourceForge 2018-11-24 19:58:03 +01:00
R. RyanTM 3902a47bed jmol: 14.29.26 -> 14.29.28 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-11-09 16:17:35 -08:00
R. RyanTM fedc17a99d jmol: 14.29.22 -> 14.29.26 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-10-15 21:05:03 -07:00
Timo Kaufmann 87ca34b895
Merge pull request #47043 from r-ryantm/auto-update/jmol 
jmol: 14.29.19 -> 14.29.22
 2018-09-27 12:09:01 +02:00
markuskowa 6f6222c40f openmolcas: 20180529 -> 18.09 (#47410) 2018-09-27 10:47:02 +02:00
R. RyanTM 730eb9f5f2 jmol: 14.29.19 -> 14.29.22 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-09-20 12:30:18 -07:00
Chris Ostrouchov a2bc529f22
siesta: init at 4.0.2 2018-09-14 15:40:25 -04:00
Chris Ostrouchov 2c7295ebe0
quantum-espresso: init at 6.3 2018-09-14 15:40:14 -04:00
R. RyanTM baf51804f0 jmol: 14.29.17 -> 14.29.19 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
jmol
 2018-09-06 19:54:40 -07:00
Jörg Thalheim 4609e3abf2
Merge pull request #45303 from markuskowa/molden-up 
molden: 5.7 -> 5.8.2
 2018-08-19 13:32:28 +01:00
Markus Kowalewski 04d283ecda
molden: patch to deactivate extension installer script 2018-08-19 11:29:31 +02:00
Orivej Desh 65663f883c msgpack: rename from libmsgpack 
The project does not use the name "libmsgpack". It variously uses "msgpack" and
"msgpack-c", and "msgpackc" for the name of the library.
 2018-08-18 23:19:54 +00:00
Markus Kowalewski 79bf57ca23
molden: 5.7 -> 5.8.2 2018-08-18 14:24:39 +02:00
Vladimír Čunát 209730208a
Merge branch 'staging-next' 2018-08-17 20:51:31 +02:00
R. RyanTM ae846c0c03 octopus: 8.1 -> 8.2 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/octopus/versions.
 2018-08-16 20:04:53 -07:00
Frederik Rietdijk d9fa74ba78 Merge master into staging 2018-08-09 18:28:15 +02:00
symphorien 0ca40a51c7 gwyddion, ripser: fix derivation name (#44577) 2018-08-07 01:21:53 +02:00