Commit graph

29082 commits

Author SHA1 Message Date
Rémi Lacroix
b43a27674b CPMD: Update for open-source release
CPMD has been open-sourced on GitHub so manual download is no longer needed. The patches have been included in the new 4.3 release.
2022-12-27 13:06:08 -08:00
Massimiliano Culpo
3d961b9a1f
spack graph: rework to use Jinja templates and builders (#34637)
`spack graph` has been reworked to use:

- Jinja templates
- builder objects to construct the template context when DOT graphs are requested. 

This allowed to add a new colored output for DOT graphs that highlights both
the dependency types and the nodes that are needed at runtime for a given spec.
2022-12-27 15:25:53 +01:00
Todd Gamblin
d100ac8923 types: fix type annotations and remove novm annootations for llnl module
Apparently I forgot to do this in #34305.
2022-12-26 22:28:44 +01:00
Harmen Stoppels
e8fa8c5f01 timer: pick a single unit based on max duration. 2022-12-26 22:28:44 +01:00
Todd Gamblin
be6bb413df spack solve: use consistent units for time
`spack solve` is supposed to show you times you can compare. setup, ground, solve, etc.
all in a list. You're also supposed to be able to compare easily across runs. With
`pretty_seconds()` (introduced in #33900), it's easy to miss the units, e.g., spot the
bottleneck here:

```console
> spack solve --timers tcl
    setup        22.125ms
    load         16.083ms
    ground        8.298ms
    solve       848.055us
    total        58.615ms
```

It's easier to see what matters if these are all in the same units, e.g.:

```
> spack solve --timers tcl
    setup         0.0147s
    load          0.0130s
    ground        0.0078s
    solve         0.0008s
    total         0.0463s
```

And the units won't fluctuate from run to run as you make changes.

-[x] make `spack solve` timings consistent like before
2022-12-26 22:28:44 +01:00
Adam J. Stewart
d23c302ca2
qt-base: ~network by default (#34688) 2022-12-26 10:19:03 -06:00
Rohit Goswami
ed0c1cea91
py-pytest-datadir: Init at 1.4.1 (#34692)
* py-pytest-datadir: Init at 1.4.1

* py-pytest-data-dir: Fix missing dep

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

Co-authored-by: "Adam J. Stewart" <ajstewart426@gmail.com>
2022-12-24 11:42:05 -07:00
Lucas Frérot
ffc42e287d
py-uvw: added v0.5.0 (#34677) 2022-12-24 11:12:44 -06:00
Ralf Gommers
ba0d182e10
Update py-meson-python (0.11.0, 0.12.0) and meson (0.64.1, 1.0.0) (#34675)
* Update py-meson-python versions (0.11.0, 0.12.0)

* Update `meson` to version 0.64.1

* Add Meson 1.0.0

* Apply code review suggestions
2022-12-23 19:22:19 -07:00
David Zmick
8d8104de2c
tmux: add 3.3a (#34671) 2022-12-24 01:52:32 +01:00
Adam J. Stewart
7975e0afbc
QMakeBuilder: fix bug introduced during multi-bs refactor (#34683) 2022-12-23 13:57:44 -06:00
Adam J. Stewart
4a43522763
py-kornia: add v0.6.9 (#34652) 2022-12-22 15:13:52 -07:00
Adam J. Stewart
30343d65ba
libelf: fix build on macOS x86_64 (#34646) 2022-12-22 14:58:32 -07:00
Alex Richert
38c1639c9c
bacio: fix typo in patch method (#34663) 2022-12-22 18:59:32 +01:00
Wouter Deconinck
be5033c869
sherpa: add v2.2.13 (#34628) 2022-12-22 10:58:21 -07:00
Adam J. Stewart
eb67497020
ML CI: Linux x86_64 (#34299)
* ML CI: Linux x86_64

* Update comments

* Rename again

* Rename comments

* Update to match other arches

* No compiler

* Compiler was wrong anyway

* Faster TF
2022-12-22 11:31:40 -06:00
Loïc Pottier
371268a9aa
added py-dynim package (#34651)
Signed-off-by: Loïc Pottier <48072795+lpottier@users.noreply.github.com>

Signed-off-by: Loïc Pottier <48072795+lpottier@users.noreply.github.com>
2022-12-22 09:55:18 -06:00
Andrew Wood
344e8d142a
Restrict a patch of rhash to versions >=1.3.6 (#34310) 2022-12-22 08:02:15 -07:00
Harmen Stoppels
161fbfadf4
Fix combine_phase_logs text encoding issues (#34657)
Avoid text decoding and encoding when combining log files, instead
combine in binary mode.

Also do a buffered copy which is sometimes faster for large log files.
2022-12-22 15:32:48 +01:00
Wladimir Arturo Garces Carrillo
3304312b26
neve: add new package (#34596)
Co-authored-by: WladIMirG <WladIMirG@users.noreply.github.com>
2022-12-22 07:27:07 -07:00
Alec Scott
3279ee7068
Add --fresh to docs to actually upgrade spack environments (#34433) 2022-12-22 11:19:24 +00:00
Todd Gamblin
8f3f838763
docs: show module documentation before submodules (#34258)
Currently, the Spack docs show documentation for submodules *before* documentation for
submodules on package doc pages. This means that if you put docs in `__init__.py` in
some package, the docs in there will be shown *after* the docs for all submodules of the
package instead of at the top as an intro to the package. See, e.g.,
[the lockfile docs](https://spack.readthedocs.io/en/latest/spack.environment.html#module-spack.environment),
which should be at the
[top of that page](https://spack.readthedocs.io/en/latest/spack.environment.html).

- [x] add the `--module-first` option to sphinx so that it generates module docs at top of page.
2022-12-22 11:50:48 +01:00
Todd Gamblin
09864d00c5
docs: remove monitors and analyzers (#34358)
These experimental features were removed in #31130, but the docs were not.

- [x] remove the `spack monitor` and `spack analyze` docs
2022-12-22 11:47:13 +01:00
Benjamin S. Kirk
0f7fa27327
librsvg: add 2.40.21, which does not require rust (#34585)
* librsvg: add 2.40.21, which does not require rust and has some security backports

https://download.gnome.org/sources/librsvg/2.40/librsvg-2.40.21.news

* librsvg: prevent finding broken gtkdoc binaries when ~doc is selected.

On my CentOS7 hosts, ./configure finds e.g. /bin/gtkdoc-rebase even when
~doc is selected.  These tools use Python2, and fail with an error:
"ImportError: No module named site"

So prevent ./configure from finding these broken tools when not building
the +doc variant.
2022-12-22 11:28:30 +01:00
Rocco Meli
a27139c081
openbabel: add 3.1.0 and 3.1.1 (#34631) 2022-12-22 03:17:50 -07:00
Vasileios Karakasis
4d4338db16
reframe: rework recipe, add v4.0.0-dev4 (#34584) 2022-12-22 09:53:42 +01:00
Annop Wongwathanarat
6d64ffdd1a
quantum-espresso: enable linking with armpl-gcc and acfl for BLAS and FFT (#34416) 2022-12-22 09:50:51 +01:00
Harmen Stoppels
e9ea9e2316
index.json.hash, no fatal error if key cannot be fetched (#34643) 2022-12-22 09:48:05 +01:00
Benjamin Fovet
2a5509ea90
kokkos: add v3.7.01 (#34645)
Co-authored-by: Benjamin Fovet <benjamin.fovet@cea.fr>
2022-12-22 09:45:13 +01:00
Adam J. Stewart
b9d027f0cc
py-pytorch-lightning: add v1.8.6 (#34647) 2022-12-22 09:43:57 +01:00
Christopher Christofi
6d54dc2a44
perl-config-simple: add 4.58 (#34649) 2022-12-22 09:43:41 +01:00
renjithravindrankannath
6cd9cbf578
Using corresponding commit ids of hiprand for each releases (#34545) 2022-12-22 09:36:14 +01:00
Alex Richert
72e81796d1
bacio: patch for v2.4.1 (#34575) 2022-12-22 09:12:29 +01:00
Andre Merzky
f116e6762a
add py-psij-python and py-pystache packages (#34357)
* add psij package and deps

* update hashes, URLs

* linting

* Update var/spack/repos/builtin/packages/py-psij-python/package.py

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

* Update var/spack/repos/builtin/packages/py-pystache/package.py

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

* Update var/spack/repos/builtin/packages/py-pystache/package.py

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>

* Update package.py

apply suggested change

* Update package.py

apply suggested change

* Update package.py

ensure maintainer inheritance

* add psij to exaworks meta-package

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2022-12-21 20:07:35 -07:00
Howard Pritchard
c74bbc6723
paraview: patch catalyst etc. to build with oneapi (#33562)
without this patch, build of paraview has a meltdown when reaching 3rd party catalyst and other packages
with these types of errors:

   335    /tmp/foo/spack-stage/spack-stage-paraview-5.10.1-gscoqxhhakjyyfirdefuhmi2bzw4scho/spack-src/VTK/ThirdParty/fmt/vtkfmt/vtkfmt/format.h:1732:11: error: cannot capture a bi
            t-field by reference
   336          if (sign) *it++ = static_cast<Char>(data::signs[sign]);
   337              ^

Signed-off-by: Howard Pritchard <howardp@lanl.gov>

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
2022-12-21 17:07:24 -07:00
Harmen Stoppels
492a603d5e
json: remove python 2 only code (#34615) 2022-12-21 14:18:12 -07:00
Adam J. Stewart
dab68687bd
py-cartopy: older versions don't support Python 3.10 (#34626) 2022-12-21 21:23:22 +01:00
Thomas Madlener
1a32cea114
podio: add v0.16.2 (#34606) 2022-12-21 12:52:47 -07:00
Hector Martinez-Seara
aaec76652b
relion: add v4.0.0 (#34600) 2022-12-21 20:41:13 +01:00
Michael Kuhn
f748911ea0
glib: add 2.74.3 (#34603) 2022-12-21 20:40:04 +01:00
Cory Bloor
e60e74694f
rocm: make amdgpu_target sticky (#34591)
The sticky property will prevent clingo from changing the amdgpu_target
to work around conflicts. This is the same behaviour as was adopted for
cuda_arch in 055c9d125d.
2022-12-21 20:21:20 +01:00
Sergey Kosukhin
2ef026b8c6
eckit: skip broken test (#34610) 2022-12-21 20:20:05 +01:00
Mark W. Krentel
a6c2569b18
hpctoolkit: replace filter_file with upstream patch (#34604)
Replace the filter_file for older configure with rocm 5.3 with an
upstream patch.  Further, the patch is no longer needed for develop or
later releases.
2022-12-21 20:18:58 +01:00
shanedsnyder
5483b5ff99
dashan-runtime,darshan-util,py-darshan: update package versions for darshan-3.4.2 (#34583) 2022-12-21 20:18:27 +01:00
louisespellacy-arm
2b78a7099d
arm-forge: add 22.1.2 (#34569) 2022-12-21 20:09:42 +01:00
lpoirel
34cdc6f52b
starpu: add conflict for ~blocking +simgrid (#34616)
see 1f5a911d43
2022-12-21 20:09:23 +01:00
Adam J. Stewart
3aafdb06c9
py-pyproj: add new versions (#34633) 2022-12-21 20:00:53 +01:00
Harmen Stoppels
4a22c1c699
urlopen: handle timeout in opener (#34639) 2022-12-21 19:40:26 +01:00
Andrey Perestoronin
f021479ef0
feat: 🎸 Add new 2023.0.0 oneVPL package (#34642) 2022-12-21 11:07:41 -07:00
Manuela Kuhn
3f374fb62f
py-vcrpy: add 4.2.1 (#34636) 2022-12-21 11:02:55 -07:00