Commit graph

35381 commits

Author SHA1 Message Date
Jonas Eschle
9ab3c1332b
py-tensorflow-probability: Re-activate +py-jax variant for @0.20:, Add 0.23.0 (#43249) 2024-03-23 13:15:26 +01:00
Christopher Christofi
b6425da50f
New package: qctool (#43326) 2024-03-23 05:46:03 -06:00
YI Zeping
937a4dbf69
NWChem pacakge: expand fftw patch appliance range to 7.2.2 (#43321)
* expand fftw patch appliance range to include 7.2.2
* fix formatting bug
2024-03-23 05:41:34 -06:00
Gavin John
cd779ee54d
octave package: correction to jdk variant description (#43325) 2024-03-23 05:41:11 -06:00
Gavin John
7ddcb13325
openjdk package: use correct homepage (#43324) 2024-03-23 05:40:58 -06:00
Gavin John
7666046ce3
icedtea: change jdk dependency to java (#43323) 2024-03-23 05:40:43 -06:00
Miguel Dias Costa
8e89e61402
BerkeleyGW package: add version 4.0 (#43316) 2024-03-23 04:02:44 -06:00
Auriane R
d0dbfaa5d6
aws-ofi-nccl package: add versions including 1.8.1 (#43305)
The default url couldn't be the one with v0.0.0-aws since spack was
replacing v0.0.0-aws with v<version_number> for example, deleting the
-aws suffix. I used the url_for_version method to specify this suffix.
2024-03-22 17:49:00 -07:00
Gavin John
26f562b5a7
New package: py-kneaddata (#43310) 2024-03-22 17:20:52 -07:00
Chris Marsh
2967804da1
netcdf-cxx4: fix reference error (#43322) 2024-03-22 16:05:17 -07:00
Harmen Stoppels
c3eaf4d6cf
Support for prereleases (#43140)
This adds support for prereleases. Alpha, beta and release candidate
suffixes are ordered in the intuitive way:

```
1.2.0-alpha < 1.2.0-alpha.1 < 1.2.0-beta.2 < 1.2.0-rc.3 < 1.2.0 < 1.2.0-xyz
```

Alpha, beta and rc prereleases are defined as follows: split the version
string into components like before (on delimiters and string boundaries).
If there's a string component `alpha`, `beta` or `rc` followed by an optional
numeric component at the end, then the version is prerelease.

So `1.2.0-alpha.1 == 1.2.0alpha1 == 1.2.0.alpha1` are all the same, as usual.

The strings `alpha`, `beta` and `rc` are chosen because they match semver,
they are sufficiently long to be unambiguous, and and all contain at least
one non-hex character so distinguish them from shasum/digest type suffixes.

The comparison key is now stored as `(release_tuple, prerelease_tuple)`, so in
the above example:

```
((1,2,0),(ALPHA,)) < ((1,2,0),(ALPHA,1)) < ((1,2,0),(BETA,2)) < ((1,2,0),(RC,3)) < ((1,2,0),(FINAL,)) < ((1,2,0,"xyz"), (FINAL,))
```

The version ranges `@1.2.0:` and `@:1.1` do *not* include prereleases of
`1.2.0`.

So for packaging, if the `1.2.0alpha` and `1.2.0` versions have the same constraints on
dependencies, it's best to write

```python
depends_on("x@1:", when="@1.2.0alpha:")
```

However, `@1.2:` does include `1.2.0alpha`. This is because Spack considers
`1.2 < 1.2.0` as distinct versions, with `1.2 < 1.2.0alpha < 1.2.0` as a consequence.

Alternatively, the above `depends_on` statement can thus be written

```python
depends_on("x@1:", when="@1.2:")
```

which can be useful too. A short-hand to include prereleases, but you
can still be explicit to exclude the prerelease by specifying the patch version
number.

### Concretization

Concretization uses a different version order than `<`. Prereleases are ordered
between final releases and develop versions. That way, users should not
have to set `preferred=True` on every final release if they add just one
prerelease to a package. The concretizer is unlikely to pick a prerelease when
final releases are possible.

### Limitations

1. You can't express a range that includes all alpha release but excludes all beta
   releases. Only alternative is good old repeated nines: `@:1.2.0alpha99`.

2. The Python ecosystem defaults to `a`, `b`, `rc` strings, so translation of Python versions to
   Spack versions requires expansion to `alpha`, `beta`, `rc`. It's mildly annoying, because
   this means we may need to compute URLs differently (not done in this commit).

### Hash

Care is taken not to break hashes of versions that do not have a prerelease
suffix.
2024-03-22 23:30:32 +01:00
John W. Parent
397334a4be
Spack CI: Refactor process_command for Cross Platform support (#39739)
Generate CI scripts as powershell on Windows. This is intended to
output exactly the same bash scripts as before on Linux.

Co-authored-by: Ryan Krattiger <ryan.krattiger@kitware.com>
2024-03-22 14:06:29 -07:00
Harmen Stoppels
434836be81
python wheels: do not "expand" (#43317) 2024-03-22 16:57:46 +01:00
Thomas-Ulrich
7b9b976f40
openssh: add 9.7p1 and 9.6p1; update workaround for clang (#40857)
Signed-off-by: Bernhard Kaindl <bernhardkaindl7@gmail.com>
2024-03-22 08:24:32 -06:00
Mikael Simberg
4746e8a048
apex: Set APEX_WITH_KOKKOS CMake option in apex package (#43243)
* Make sure APEX_WITH_KOKKOS CMake option is set in apex

* Add conflict for apex with ~kokkos
2024-03-22 08:50:29 +01:00
Rocco Meli
69c684fef9
ELPA: enable GPU streams and update deprecated variables (#43145)
* elpa streams

* [@spackbot] updating style on behalf of RMeli

* Apply suggestions from @albestro

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

Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>

---------

Co-authored-by: RMeli <RMeli@users.noreply.github.com>
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
2024-03-22 08:42:24 +01:00
Valentin Volkl
2314aeb884
py-cmake: only run test suite when run_tests (#43246)
As the cmake build is triggered by scikit build, the usual spack option
for enabling tests had no effect and the heavy test suite ran all the time.

Used https://github.com/scikit-build/cmake-python-distributions/issues/172#issuecomment-890322263
to implement how to pass options to the actual `cmake` build.

I also excluded some tests that failed for me on alma9 (gcc 11.4.1),
so the rest of the test suite can be run.
2024-03-22 04:34:43 +01:00
Martin Aumüller
d33e10a695
ffmpeg: add v6.1.1 and older patch release updates (#43050) 2024-03-22 03:39:53 +01:00
Henning Glawe
7668a0889a
ncurses: Add terminfo for rxvt-unicode{,-256color} (#42721)
taken from the debian ncurses source package.
2024-03-22 02:50:24 +01:00
Thomas-Ulrich
d7a74bde9f
easi: add v1.3.0, python bindings and master (#42784) 2024-03-22 02:44:20 +01:00
AMD Toolchain Support
fedf8128ae
openblas: Add variant dynamic_dispatch: select best kernel at runtime (#42746)
Enable OpenBLAS's built-in CPU capability detection and kernel selection. 

This allows run-time selection of the "best" kernels for the running CPU, rather
than what is specified at build time.  For example, it allows OpenBLAS  to use
AVX512 kernels when running on ZEN4, and built targeting the "ZEN" architecture.

Co-authored-by: Branden Moore <branden.moore@amd.com>
2024-03-22 02:27:21 +01:00
Richard Berger
f70af2cc57
libristra: depends_on() for lua: allow newer lua versions (#42810) 2024-03-22 01:53:33 +01:00
Alex Leute
50562e6a0e
py-neptune-client and missing deps: new package (#43059)
Co-authored-by: Cecilia Lau <chlits@rit.edu>
Co-authored-by: Jen Herting <jen@herting.cc>
2024-03-22 01:51:13 +01:00
Sergey Kosukhin
4ac51b2127
libiconv: fix building with nvhpc (#43033) 2024-03-22 01:43:30 +01:00
HELICS-bot
81c9e346dc
helics: Add version 3.5.1 (#43314)
Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
2024-03-21 18:08:36 -06:00
Christopher Christofi
73e16a7881
py-mrcfile: add new version (#43125) 2024-03-22 00:00:15 +01:00
Alex Richert
af8868fa47
xv (image viewer): Add missing depends_on(libxt) (#43277) 2024-03-21 23:24:29 +01:00
Rémi Lacroix
cfd4e356f8
x264: Tag a recent commit: 20240314 (#43304)
x264 does not publish releases so tag a newer commit in Spack in order to be able to use an up-to-date version.
2024-03-21 23:20:00 +01:00
Adam J. Stewart
fc87dcad4c
py-torchmetrics: add v1.3.2 (#43244) 2024-03-21 23:00:32 +01:00
snehring
65472159c7
dorado: adding version 0.5.3 (#43313) 2024-03-21 22:59:20 +01:00
Stephen Hudson
d1f9d8f06d
libEnsemble: add v1.2.2 (#43308) 2024-03-21 22:57:19 +01:00
Rocco Meli
67ac9c46a8
namd: disable parallel build for 3.0b3 (#43215) 2024-03-21 22:26:36 +01:00
Stephen Sachs
aa39465188
Re enable aws pcluster buildcache stack (#38931)
* Changes to re-enable aws-pcluster pipelines

- Use compilers from pre-installed spack store such that compiler path relocation works when downloading from buildcache.
- Install gcc from hash so there is no risk of building gcc from source in pipleine.
- `packages.yam` files are now part of the pipelines.
- No more eternal `postinstall.sh`. The necessary steps are in `setup=pcluster.sh` and will be version controlled within this repo.
- Re-enable pipelines.

* Add  and

* Debugging output & mv skylake -> skylake_avx512

* Explicilty check for packages

* Handle case with no intel compiler

* compatibility when using setup-pcluster.sh on a pre-installed cluster.

* Disable palace as parser cannot read require clause at the moment

* ifort cannot build superlu in buildcache

`ifort` is unable to handle such long file names as used when cmake compiles
test programs inside build cache.

* Fix spack commit for intel compiler installation

* Need to fetch other commits before using them

* fix style

* Add TODO

* Update packages.yaml to not use 'compiler:', 'target:' or 'provider:'

Synchronize with changes in https://github.com/spack/spack-configs/blob/main/AWS/parallelcluster/

* Use Intel compiler from later version (orig commit no longer found)

* Use envsubst to deal with quoted newlines

This is cleaner than the `eval` command used.

* Need to fetch tags for checkout on version number

* Intel compiler needs to be from version that has compatible DB

* Install intel compiler with commit that has DB ver 7

* Decouple the intel compiler installation from current commit

- Use a completely different spack installation such that this current pipeline
commit remains untouched.
- Make the script suceed even if the compiler installation fails (e.g. because
the Database version has been updated)
- Make the install targets fall back to gcc in case the compiler did not install
correctly.

* Use generic target for x86_64_vX

There is no way to provision a skylake/icelake/zen runner. They are all in the
same pools under x86_64_v3 and x86_64_v4.

* Find the intel compiler in the current spack installation

* Remove SPACK_TARGET_ARCH

* Fix virtual package index & use package.yaml for intel compiler

* Use only one stack & pipeline per generic architecture

* Fix yaml format

* Cleanup typos

* Include fix for ifx.cfg to get the right gcc toolchain when linking

* [removeme] Adding timeout to debug hang in make (palace)

* Revert "[removeme] Adding timeout to debug hang in make (palace)"

This reverts commit fee8a01580489a4ea364368459e9353b46d0d7e2.

* palace x86_64_v4 gets stuck when compiling try newer oneapi

* Update comment

* Use the latest container image

* Update gcc_hashes to match new container

* Use only one tag providing tags per extends call

Also removed an unnecessary tag.

* Move generic setup script out of individual stack

* Cleanup from last commit

* Enable checking signature for packages available on the container

* Remove commented packages / Add comment for palace

* Enable openmpi@5 which needs pmix>3

* don't look for intel compiler on aarch64
2024-03-21 14:45:05 -05:00
downloadico
09810a5e7c
py-cig-pythia: add py-cig-pythia package to spack (#43294) 2024-03-21 11:11:14 -07:00
Alec Scott
446c0f2325
Disable interactive editor when --batch if passed to checksum (#43102) 2024-03-21 18:15:09 +01:00
Auriane R
c4ce51c9be
Add flash-attn package (#42939) 2024-03-21 07:23:07 -06:00
Harmen Stoppels
1f63a764ac
jdk: new versions (#43264) 2024-03-21 12:49:29 +01:00
Alec Scott
384e198304
py-python-lsp-server: add v1.10.0 (#42799)
* py-python-lsp-server: add v1.10.0

* Apply suggestions from code review

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

* Remove py-wheel from package

* Apply suggestions from code review

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-03-21 10:36:15 +01:00
Auriane R
2303332415
Update aws-ofi-nccl to use the hwloc option (#43287) 2024-03-21 09:38:40 +01:00
Tom Scogland
0eb1957999
cmd/python: use runpy to allow multiprocessing in scripts (#41789)
Running a `spack-python` script like this:

```python

import spack
import multiprocessing

def echo(args):
    print(args)

if __name__ == "__main__":
    pool = multiprocessing.Pool(2)
    pool.map(echo, range(10))
```

will fail in `develop` with an error like this:

```console
_pickle.PicklingError: Can't pickle <function echo at 0x104865820>: attribute lookup echo on __main__ failed
```

Python expects to be able to look up the method `echo` in `sys.path["__main__"]` in
subprocesses spawned by `multiprocessing`, but because we use `InteractiveConsole` to
run `spack python`, the executed file isn't considered to be the `__main__` module, and
lookups in subprocesses fail. We tried to fake this by setting `__name__` to `__main__`
in the `spack python` command, but that doesn't fix the fact that no `__main__` module
exists.

Another annoyance with `InteractiveConsole` is that `__file__` is not defined in the
main script scope, so you can't use it in your scripts.

We can use the [runpy.run_path()](https://docs.python.org/3/library/runpy.html#runpy.run_path) function,
which has been around since Python 3.2, to fix this.

- [x] Use `runpy` module to launch non-interactive `spack python` invocations
- [x] Only use `InteractiveConsole` for interactive `spack python`
2024-03-21 01:32:28 -07:00
Greg Becker
de1f9593c6
cray: return false more readily in detection logic (#43150)
Often in containers, the files we use to detect whether a cray system supports new features are not available.

Given that the cray containers only support the newer versions, and that these versions have been
around for a while at this point and few sites don't support them, this PR changes the logic for
detecting cray systems so that:

1. Don't even consider whether something is the `cray` platform if `opt/cray` is not in `MODULEPATH`
2. Only use the `cray` platform if we can read files in /opt/cray/pe and positively detect an older version
3. Otherwise, assume we're *not* on a cray (includes newer Cray PE's, which we treat as Linux)
2024-03-20 15:43:45 -07:00
Christopher Christofi
65fa71c1b4
py-pycm: new package (#43251)
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
Signed-off-by: Bernhard Kaindl <bernhardkaindl7@gmail.com>
2024-03-20 19:02:36 +01:00
Martin Lang
9802649716
berkeleygw: update FCPP flags for gcc (#42848)
Compilation with the old flags fails on PowerPC (power8le) due to syntax
errors in the output from the preprocessor. Compilation with the
extended set of flags works both on PowerPC and x86_64.

The correct set of flags was suggested from the berkeleygw developers:
https://groups.google.com/a/berkeleygw.org/g/help/c/ewi3RZgOyeE/m/jSIoe45PAgAJ

Uses spack-provided compiler prefix to call cpp when compiling berkeleygw with gcc.
2024-03-20 18:55:54 +01:00
Alex Leute
8d9d721f07
py-postcactus: new package (#42907)
Co-authored-by: Sid Pendelberry <sid@rit.edu>
2024-03-20 18:50:52 +01:00
Greg Becker
ecef72c471
Target.optimization_flags converts non-numeric versions to numeric (#43179) 2024-03-20 09:39:26 -07:00
Robert Cohn
485b6e2170
Update Intel download URLs (#43286) 2024-03-20 12:34:03 -04:00
mvlopri
ba02c6b70f
seacas: update the variants and tpls (#43195)
Adds variants to turn off tests
Add variants for some missing TPL options
Add the variables required to build in ~shared

* Add pamgen to Trilinos as a variant to support SEACAS

This adds the ability to turn off and on pamgen as needed
through the variant interface for the Trilinos package.py.
Add changes for seacas package.py to build the appropriate
Trilinos variants.
Add zlib-api as depends_on instead of zlib directly for SEACAS
package.py

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2024-03-20 10:14:24 -06:00
Juan Miguel Carceller
7028669d50
fastjet: add version 3.4.2 (#43285)
* fastjet: add version 3.4.2

* Change the range of the ATLAS patch

---------

Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
2024-03-20 16:46:09 +01:00
Dom Heinzeller
2f0a73f7ef
Define variant typescript for py-jupyter-server with explicit dependency on npm (#43279)
* Add variant typescript for py-jupyter-server@:1, which then requires npm/node. Patch the build system for ~typescript so that it doesn't find any npm/node installations and attempts to build the typescript extension even though it shouldn't

* Fix formatting in var/spack/repos/builtin/packages/py-jupyter-server/package.py

* Constrain typescript variant to py-jupyter-server versions 1.10.2:1

* with when not needed if variant doesn't exist for other versions
2024-03-20 08:03:18 -06:00
Massimiliano Culpo
7cb0dbf77a
Remove optimization criterion on OS mismatches (#43282) 2024-03-20 04:57:56 -06:00