Commit graph

33064 commits

Author SHA1 Message Date
Benjamin Meyers
eddbbb867d
New package py-seekpath (#36108)
* New package py-seekpath

* [@spackbot] updating style on behalf of meyersbs
2023-03-18 17:01:43 -05:00
Benjamin Meyers
32154e6fc7
New package py-pyisemail (#36112) 2023-03-18 17:00:46 -05:00
Adam J. Stewart
6618b0c830
py-scikit-image: add v0.20.0 (#36167)
* py-scikit-image: add v0.20.0

* [@spackbot] updating style on behalf of adamjstewart

---------

Co-authored-by: adamjstewart <adamjstewart@users.noreply.github.com>
2023-03-18 16:49:39 -05:00
Massimiliano Culpo
d84c6ad29e
cmake build system: make "generator" a variant (#35552) 2023-03-18 16:39:04 +01:00
Massimiliano Culpo
2f07c64f2d
Fix wrong computation of concrete specs due to a bug in intersects (#36194)
fixes #36190
2023-03-18 12:50:52 +01:00
Alec Scott
ca5cab8498
patchelf: add v0.17.2 (#36203) 2023-03-18 11:09:58 +01:00
Alec Scott
5f8ee20c7c
ffmpeg: add v6.0 (#35857)
* ffmpeg: add v6.0

* Add limit to py-torchvision to prevent ffmpeg v6.0
2023-03-18 02:47:44 -04:00
Harmen Stoppels
fd70a2cc07
cython: force through env variable (#35995) 2023-03-17 19:54:24 -04:00
Alec Scott
31201f91bc
libsigsegv: add v2.14 (#36070) 2023-03-17 18:39:26 -04:00
Ben Morgan
da0b76047d
geant4: new version 11.0.4 (#36185) 2023-03-17 17:58:42 -04:00
Massimiliano Culpo
0478e5f684
Improve wording of audit message (#36180) 2023-03-17 17:43:35 -04:00
Alec Scott
4f7c147d50
libpciaccess: add v0.17 (#36076) 2023-03-17 17:33:44 -04:00
Amintor Dusko
73a887ee7c
Update PennyLane and PennyLane Lightning (#35406) 2023-03-17 17:28:26 -04:00
John W. Parent
8195f27a66
Windows: properly handle symlink failures (#36003)
In the Windows filesystem logic for creating a symlink, we intend to
fall back to a copy when the symlink cannot be created (for some
configuration settings on Windows it is not possible for the user
to create a symlink). It turns out we were overly-broad in which
exceptions lead to this fallback, and the subsequent copy would
also fail: at least one case where this occurred is when we
attempted to create a symlink that already existed.

The updated logic expressly avoids falling back to a copy when the
file/symlink already exists.
2023-03-17 10:19:32 -07:00
Alec Scott
a60fa7ff7d
libxdmcp: add v1.1.4 (#36074) 2023-03-17 13:11:10 -04:00
Adam J. Stewart
6272853030
Bazel: limit parallelism (#36002)
* Bazel: limit parallelism

* Patch packages that don't directly invoke bazel

* Style fixes

* flag comes after build, not bazel

* flag comes after build, not bazel

* command is only attribute if specific package
2023-03-17 11:13:27 -05:00
Seth R. Johnson
507b42c54f
veccore: new version 0.8.1 (#36184) 2023-03-17 09:19:04 -04:00
Szilárd Páll
3897c1308e
Switch GROMACS build type to Release (#36181)
The current default RelWithDebInfo gives significantly slower builds
so it should not be the default.
2023-03-17 07:17:06 -06:00
Valentin Volkl
b54d208aea
boost: add patch for 1.81.0 (#35964) 2023-03-17 11:42:43 +01:00
Edoardo Aprà
612aa744f6
nwchem: add v7.2.0 (#36061) 2023-03-17 11:41:33 +01:00
Massimiliano Culpo
97193a25ce
Mitigation for GitVersion bug when no =reference is given (#36159)
* ASP-based solver: use satisfies instead of intersects

They are semantically equivalent for concrete versions,
but the GitVersion.intersects implementation is buggy

* Mitigation for git version bug

fixes #36134

This commit works around the issue in #36134, by using
GitVersion.satisfies instead of GitVersion.intersects

There are still underlying issues when trying to infer the
"reference version" when no explicit one is given, but:

1. They are not reproducible with our synthetic repo
2. They occur only when the `git.<xxx>` form of Git version
   is used

Here we just work around the user facing issue and ensure
the tests are correct with our synthetic repository.
2023-03-17 11:36:29 +01:00
Vicente Bolea
5bf96561ee
vtk-m: update to latest release (#35590)
* vtk-m: add v2.0.0
* Update var/spack/repos/builtin/packages/vtk-m/package.py

---------

Co-authored-by: Kenneth Moreland <morelandkd@ornl.gov>
2023-03-17 11:19:13 +01:00
Cameron Book
f2ba1d276b
nccmp: add more constrain to dependencies, add configure args (#35539) 2023-03-17 11:10:36 +01:00
dependabot[bot]
4e060ba933
build(deps): bump actions/checkout from 3.3.0 to 3.4.0 (#36140)
Bumps [actions/checkout](https://github.com/actions/checkout) from 3.3.0 to 3.4.0.
- [Release notes](https://github.com/actions/checkout/releases)
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)
- [Commits](ac59398561...24cb908017)

---
updated-dependencies:
- dependency-name: actions/checkout
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
2023-03-17 10:58:57 +01:00
afzpatel
dd15c37021
hipcub and rocprim: enable testing (#35660) 2023-03-17 10:56:54 +01:00
Harmen Stoppels
141c154948
openssh: 9.2, 9.3 (#36162) 2023-03-17 10:31:39 +01:00
Alec Scott
e51447c2c0
nano: add v7.2 (#36148) 2023-03-17 10:16:27 +01:00
Adam J. Stewart
a84fb716a0
Update the PyTorch ecosystem (#36132)
* py-pytorch-lightning: add v2.0.0

* py-lightning-utilities: add v0.8.0

* Update all PyTorch packages

* Open-CE does not yet have patches for PyTorch 2 on ppc64le
2023-03-17 10:13:44 +01:00
M. Eric Irrgang
a11f06885f
Fix --test behavior for gromacs package. (#35674)
For `spack install --test=all gromacs`
* remove the `test` target from the `check()` call and just use
  the `check` target, in accordance with usual GROMACS test protocol
* build the test binaries explicitly during the build phase

Additional minor updates are necessary. This change
updates the package structure to the newer format with a
separate Builder class so we can override `check()`.
However, note that additional modernization should be
undertaken with care.
2023-03-17 10:11:22 +01:00
Massimiliano Culpo
8517a74f37
ASP-based solver: tweak heuristic, modify compiler encoding (#35989)
This PR does 2 unrelated things:
1. It changes the encoding of the compilers
2. It tweaks the heuristic for the solves in a0d88179074f81d13a3fad629a43d86334e7f982

Both were initially motivated by trying to get a performance gain but, while 2 showed significant speed-ups[^1], 1 instead didn't. I kept it anyhow, since I think the code related to compilers is more consolidated with the new encoding and we might get some performance improvement out of it if we can base our errors on the `node_compiler(Package, CompilerID)` atoms instead of `attrs`.

[^1]: In general the changes in the heuristic brought a ~10% speed-up on the tests I did. I'll post detailed results below.

Add a warning about compilers.yaml that is triggered if there are multiple compilers with the same spec, os and
target (since they can't be selected by users with the spec syntax only).
2023-03-17 00:39:41 -07:00
Alec Scott
34ef01a5c8
libx11: add v1.8.4 (#36075) 2023-03-17 00:04:07 -04:00
Michael Kuhn
86e49a63ce
lmod: add 8.7.20 (#36177) 2023-03-17 02:07:31 +01:00
John W. Parent
d76845e875
libpng package: build with CMake (#35105) 2023-03-16 16:44:53 -07:00
Matthew Thompson
97d6c741b0
Fix for ESMF post_install on macOS (#36087) 2023-03-16 16:32:54 -07:00
Bill Williams
09fd3e8e61
Add explicit configure args to fix instrumentation-time paths (#36089) 2023-03-16 16:30:48 -07:00
Stephen Sachs
e341dac014
[pmix] master branch uses git submodule config/oac (#36104)
* [pmix] master branch uses git submodule config/oac
* Add comment for future versions
2023-03-16 16:04:56 -07:00
Stephen Sachs
38383743e7
pmix, openmpi, and prrte need to use the same configure to find the same deps (#36105)
* [openmpi] 5.0.0.rc10 onwards needs munge

This is the error you will see when munge is missing from `PKG_CONFIG_PATH`:

```
configure:63942: checking for pmix pkg-config cflags
configure:63956: check_package_pkgconfig_run_results=Package munge was not found in the pkg-config search path.
Perhaps you should add the directory containing `munge.pc'
to the PKG_CONFIG_PATH environment variable
Package 'munge', required by 'pmix', not found
configure:63959: $? = 1
configure:63966: pkg-config output: Package munge was not found in the pkg-config search path.
Perhaps you should add the directory containing `munge.pc'
to the PKG_CONFIG_PATH environment variable
Package 'munge', required by 'pmix', not found
configure:63972: result: error
configure:63974: error: An error occurred retrieving pmix cppflags from pkg-config
```

* Use same PKG_CONFIG_PATH defaults for ompi+pmix+prrte

The issue I tried to fix in https://github.com/spack/spack/pull/36105 comes from
different default search paths in different `pkg-config` executables used in
`openmpi` and `pmix` package. As these tools (`openmpi`, `pmix`, and `prrte`)
all use the same mechanisms to detect dependencies, the `pkg-config` environment
they use should also be equal.
2023-03-16 16:02:02 -07:00
Rémi Lacroix
8b94cc4ec2
libaio: Add version 0.3.113 (#36101) 2023-03-16 14:27:50 -07:00
Wouter Deconinck
0a55b44092
autodiff: new version 1.0.0 (#36121)
No more https://0ver.org. No changes to build system since 0.6.12.
2023-03-16 14:20:43 -07:00
Erik Heeren
d97bb895e8
Ospray (#36128)
* ospray: denoiser and GLM variants
* ospray: denoiser defaults to True to preserve previous behaviour
2023-03-16 14:11:03 -07:00
Erik Schnetter
e8482d9e79
openssl: New version 3.1.0 (#36166) 2023-03-16 16:03:06 -04:00
Richard Berger
3f3565e890
LAMMPS: add new versions (#35592)
* LAMMPS: add new stable version 20220623.3
* LAMMPS: add new patch version 20230208
2023-03-16 12:52:48 -07:00
Michael Kuhn
3bb35fbaf6
meson: add 1.0.1 (#35987) 2023-03-16 15:28:09 -04:00
Dom Heinzeller
4572052c63
Modify info print of ESMF_CPP due to permission denied errors in spack on MSU Hercules (#35969)
* Skip info print of ESMF_CPP due to permission denied errors in spack on MSU Hercules
* Better version of patch
2023-03-16 12:22:57 -07:00
Harmen Stoppels
ba00da61e4
reduce spec.json.sig file size (#36157)
Since GPG clear-sign cannot deal with lines longer than 19995 characters
and doesn't even error but simply truncates those linese (don't ask me
why...), we have to be careful not to hit that line limit when reducing
the filesize.

So, instead this PR sets the indent level to 0 and drops the whitespace
after `: `, which still reduces file size by 50% or so.
2023-03-16 19:46:13 +01:00
John W. Parent
825599a510
Windows: target arch based on spec target arch (#35797)
Update packages to check Spec's target rather than the host platform.
2023-03-16 11:31:19 -07:00
renjithravindrankannath
4f6f1b620f
Include rocm-openmp-extras header and omp library (#36142) 2023-03-16 11:21:55 -07:00
Rocco Meli
08dc2d4020
add rdkit for gninavis and remove mpi (#36117) 2023-03-16 11:03:26 -07:00
Pierre Jolivet
6af84c4574
slepc: add HPDDM wrappers (#36118) 2023-03-16 12:32:07 -05:00
Harmen Stoppels
50cc1d12f9
Revert "minify spec.json in buildcache (#36138)" (#36156)
This reverts commit 1a8eefe09b.
2023-03-16 10:30:52 +01:00