Commit Graph

33401 Commits

Author SHA1 Message Date
Benjamin Meyers
7610926e5e Update and fix py-meldmd (#35783)
* Update/fix py-meldmd; update openmm

* Restrict filter_file based on openmm version

* Updates based on Adam's feedback

* [@spackbot] updating style on behalf of meyersbs

* Break up long filter_file

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-03-08 06:59:35 -05:00
Benjamin Meyers
703f687ca0 Update py-seaborn to @0.12.2 (#35896) 2023-03-08 06:54:17 -05:00
Annop Wongwathanarat
983a56e729 gromacs: add sve variant on aarch64 (#35614) 2023-03-08 10:25:36 +01:00
Brian Vanderwende
cbd0770497 ESMF should use Spack wrappers directly (#35749) 2023-03-08 10:21:51 +01:00
Tamara Dahlgren
b06648eb64 docs: added platform conflicts example, fix quotes (#35771) 2023-03-08 10:10:01 +01:00
QuellynSnead
80d784c401 singularity-eos: (#35625)
The Cray fortran compiler names fortran modules in uppercase by
default. Compile with the "-ef" flag to produce the lowercase
name that singularity-eos is expecting.
2023-03-08 09:58:34 +01:00
downloadico
5b3ad0adaa pgplot: made dependent packages set environment variables from pgplot (#35803) 2023-03-08 09:48:12 +01:00
Richard Berger
3feadc0a36 lammps: GPU/Kokkos package updates (#35885) 2023-03-08 09:46:05 +01:00
Alec Scott
8ec86e05c4 ico: add v1.0.6 (#35881) 2023-03-08 09:33:22 +01:00
Alec Scott
b34fd98915 ftxui: add v4.0.0 (#35868) 2023-03-08 09:33:08 +01:00
Tim Haines
a93d143f17 boost: add v1.81.0 (#34613) 2023-03-08 09:28:17 +01:00
Alec Scott
d0ced9da94 lucene: add v9.5.0 (#35917) 2023-03-08 09:12:51 +01:00
Harmen Stoppels
c37d6f97dc compiler wrapper: parse Wl and Xlinker properly (#35912)
Two fixes:

1. `-Wl,a,b,c,d` is a comma separated list of linker arguments, we
   incorrectly assume key/value pairs, which runs into issues with for
   example `-Wl,--enable-new-dtags,-rpath,/x`
2. `-Xlinker,xxx` is not a think, so it shouldn't be parsed.
2023-03-08 09:03:31 +01:00
Adam J. Stewart
ec73157a34 py-mypy: add v1.1.1 (#35926) 2023-03-08 08:16:01 +01:00
Alec Scott
e447c365ee help2man: add v1.49.3 (#35877) 2023-03-08 02:01:58 -05:00
Alec Scott
c5c67145d3 iso-codes: add v4.13.0 (#35915) 2023-03-08 01:18:10 -05:00
Alec Scott
a5bc83d635 httpie: add v3.2.1 (#35879)
* httpie: add v3.2.1

* Add additional 3.2.1 dependencies to httpie

* Add version condition to dependency

* Reorder dependencies for efficiency

* Update var/spack/repos/builtin/packages/httpie/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-03-08 01:05:44 -05:00
Alec Scott
1760553b70 lua-luaposix: add v36.1 (#35918) 2023-03-08 00:30:28 -05:00
Alec Scott
62d9bf5fef listres: add v1.0.5 (#35921) 2023-03-07 22:12:35 -05:00
Alec Scott
cb49da1b6f lndir: add v1.0.4 (#35920) 2023-03-07 21:54:19 -05:00
Alec Scott
c79d9ac5bd erlang: add v25.2 (#35856) 2023-03-07 20:29:52 -05:00
Alec Scott
871ca3e805 jchronoss: add v1.2.1 (#35916) 2023-03-07 19:58:21 -05:00
Harmen Stoppels
89176bd3f6 libxc: use gitlab release tarballs for v6.0.0 and greater (#35894)
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-03-07 19:57:59 -05:00
Alec Scott
b29a607ceb isl: add v0.25 (#35884) 2023-03-07 18:03:01 -05:00
Alec Scott
0c06ecc711 iceauth: add v1.0.9 (#35880) 2023-03-07 18:02:45 -05:00
Alec Scott
73d1e36da5 imake: add v1.0.9 (#35882) 2023-03-07 18:02:29 -05:00
Erik Heeren
0d57c2ab24 py-numpy-stl: new package (#35892) 2023-03-07 18:02:13 -05:00
Alec Scott
272e69b2fd htslib: add v1.17 (#35883) 2023-03-07 18:01:58 -05:00
Alec Scott
8efde89c0e hivex: add v1.3.23 (#35878) 2023-03-07 18:01:43 -05:00
Alec Scott
c7ec47c658 graphviz: add v7.1.0 (#35876) 2023-03-07 17:56:08 -05:00
Alec Scott
013e82f74f grep: add v3.9 (#35875) 2023-03-07 17:55:46 -05:00
Alec Scott
fff7e6d626 gradle: add v8.0.2 (#35873) 2023-03-07 17:50:06 -05:00
Alec Scott
ac1fe8765a gprolog: add v1.5.0 (#35874) 2023-03-07 17:23:21 -05:00
Alec Scott
acbf46d786 glpk: add v5.0 (#35871) 2023-03-07 17:22:56 -05:00
Alec Scott
a753fa12fb gegl: add v0.4.42 (#35866) 2023-03-07 17:22:35 -05:00
Alec Scott
27b2dc1608 fonttosfnt: add v1.2.2 (#35862) 2023-03-07 17:16:43 -05:00
Alec Scott
d8f8b42bcb fslsfonts: add v1.0.6 (#35869) 2023-03-07 16:58:59 -05:00
Alec Scott
3995428ad2 gatk: add v4.3.0.0 (#35864) 2023-03-07 16:53:15 -05:00
Alec Scott
76d41b7f9f fstobdf: add v1.0.7 (#35870) 2023-03-07 16:36:08 -05:00
Samuel Li
a7501105b1 update SPERR package (#35810)
* update SPERR package
* remove blank line
* update SPERR package
* remove blank line
---------

Co-authored-by: Samuel Li <Sam@Navada>
2023-03-07 12:26:43 -08:00
Adam J. Stewart
da33334488 py-pytorch-lightning: add v1.9.4 (#35791) 2023-03-07 12:08:47 -08:00
Adam J. Stewart
68dfcd10e6 py-pytorch-lightning: torch~distributed not supported in 1.9.0 (#35809) 2023-03-07 12:05:39 -08:00
Alec Scott
4e6a8a40b7 cloog: add v0.18.4 (#35849) 2023-03-07 11:55:00 -08:00
Alec Scott
20f663d089 dnsmasq: add v2.89 (#35851) 2023-03-07 11:54:37 -08:00
Cody Balos
acf61daf99 sundials: add new version (#35796) 2023-03-07 11:52:05 -08:00
Alec Scott
a0233d2560 cmocka: add v1.1.7 (#35848) 2023-03-07 11:49:42 -08:00
Alec Scott
8c989e0aee apr: add v1.7.2, apr-util 1.6.3 (#35832)
* apr: add v1.7.2
* apr-util: add v1.6.3
2023-03-07 11:48:39 -08:00
Alec Scott
2f5e7fb38c awscli: add v1.27.84 (#35836)
* awscli: add v1.27.84

* Add botocore dependency to awscli

* Update var/spack/repos/builtin/packages/awscli/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

* Add py-botocore@1.29.84 dependency

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-03-07 13:38:17 -06:00
Alec Scott
b9bc911921 cget: add v0.2.0 (#35846) 2023-03-07 13:10:56 -05:00
Alec Scott
462df718ff bc: add v1.07.1 (#35844) 2023-03-07 13:10:33 -05:00