Commit graph

33628 commits

Author SHA1 Message Date
AMD Toolchain Support
845973273a
CP2K package: various AOCC compatibility fixes (#39773)
* cp2k: patch several old versions to help newer compilers
* cp2k: use -O2 optimization for AOCC compiler
* cp2k: do not support old AOCC compilers
* cp2k: simplify when clause due to conflicting out old compilers
* cp2k: give a more meaningful message for confilcts

Co-authored-by: Ning Li <ning.li@amd.com>
Co-authored-by: Phil Tooley <phil.tooley@amd.com>
2023-09-13 09:48:45 -07:00
Gurkirat Singh
0696497ffa
Add cmake package for v2.1.0 and master (git) versions of libfirefly (#39778)
* libfirefly: Add cmake package for v2.1.0 and master (git) versions

* Separate git URL from version declaration

Co-authored-by: Alec Scott <alec@bcs.sh>
2023-09-13 09:17:33 -07:00
Massimiliano Culpo
babd29da50
ASP-based solver: don't declare deprecated versions unless required (#38181)
Currently, the concretizer emits facts for all versions known to Spack, including deprecated versions, and has a specific optimization objective to minimize their use.

This commit simplifies how deprecated versions are handled by considering possible versions for a spec only if they appear in a spec literal, or if the `config:deprecated:true` is set directly or through the `--deprecated` flag. The optimization objective has also been removed, in favor of just ordering versions and having deprecated ones last.

This results in:

a) no delayed errors on install, but concretization errors when deprecated versions would be the only option. This is in particular relevant for CI where it's better to get errors early
b) a slight concretization speed-up due to fewer facts
c) a simplification of the logic program.

Co-authored-by: Harmen Stoppels <me@harmenstoppels.nl>
2023-09-13 18:15:57 +02:00
Massimiliano Culpo
c4e2d24ca9
Spec.tree: add type hints (#39948) 2023-09-13 11:53:14 +02:00
Harmen Stoppels
2c13361b09
gitlab ci: temporarily disable darwin aarch64 (#39974)
as there are no or few runners available
2023-09-13 11:11:33 +02:00
Harmen Stoppels
e8740b40da
unifyfs: support openssl 3 (#39945)
* unifyfs: drop upperbound on deprecated openssl

The package uses deprecated MD5 functions from OpenSSL, which causes
warnings, but (a) Spack by default disables -Werror, and (b) those
functions will continue to exist in OpenSSL 3.

* unifyfs: enable parallel build, only make check sequential

* unifyfs: order class methods by install phases
2023-09-13 08:59:47 +02:00
Harmen Stoppels
e45fc994aa
py-maestrowf: new version, fix artificial py-cryptography dep, support openssl 3 (#39946)
* py-maestrowf: add new version 1.1.9, deprecate development releases

* py-maestrowf: drop py-cryptography in 1.1.9

* py-maestrowf: drop py-cryptography dependency entirely, since it is not a direct dependency

* py-merlin: new version, ensure openssl 3 compat

* py-merlin: drop py-coloredlogs@10: lowerbound

* py-maestrowf: add py-rich, reorder deps

* py-celery: explain why upperbound is in spack but not in requirements.txt
2023-09-13 07:30:52 +02:00
Alex Richert
ed3f5fba1f
Update g2c recipe: add develop version and misc. variants (#39965)
* Update g2c recipe: add develop version and misc. variants
* add testing to g2c
* Update package.py
2023-09-12 18:23:48 -04:00
Adam J. Stewart
d0e8a4d26f
py-lightly: add v1.4.18 (#39960) 2023-09-12 16:53:41 -04:00
Massimiliano Culpo
60a5f70b80
Fix typo in metaclasses (#39947) 2023-09-12 22:53:21 +02:00
Scott Wittenburg
fa9acb6a98
ci: Tag reindex job to match the image architecture (#39958) 2023-09-12 16:33:56 -04:00
Johann Gaebler
621d42d0c7
r-piggyback: Add R package piggyback (#39932) 2023-09-12 12:53:47 -07:00
Johann Gaebler
cfdaee4725
r-pl94171: Add R package PL94171 (#39926) 2023-09-12 12:51:23 -07:00
Massimiliano Culpo
306ba86709
binutils: add v2.41 (#39483) 2023-09-12 21:15:45 +02:00
George Young
b47fd61f18
bam-readcount: add 1.0.1, correct build flags (#39950)
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-12 11:26:30 -07:00
Tamara Dahlgren
c10ff27600
CI/Add superlu-dist to broken stand-alone tests due to hang (#38908)
* Add superlu-dist to broken stand-alone CI tests
* Revert "disable superlu test (#38894)"
  This reverts commit e16397b5d8.
2023-09-12 11:09:25 -07:00
Adam Moody
9056f31f11
mpifileutils: switch to main branch (#39525) 2023-09-12 10:57:29 -07:00
Dom Heinzeller
513232cdb3
libjpeg-turbo: Fix Darwin lib install name (#39834)
* Fix Darwin lib install name in var/spack/repos/builtin/packages/libjpeg-turbo/package.py

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

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

---------

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-09-12 10:49:30 -07:00
Dom Heinzeller
30893dd99a
Filter spack compiler wrappers for h4cc in var/spack/repos/builtin/packages/hdf/package.py (#39870) 2023-09-12 10:41:04 -07:00
Alex Richert
b7c2411b50
g2 package bugfix (#39923)
* g2 package bugfix

* g2: fix w3emc dep

* fix setup_run_environment

* Update package.py

* Update package.py

* Update package.py

* Update package.py

* Update package.py

* style fix

* Update var/spack/repos/builtin/packages/g2/package.py

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

* Update var/spack/repos/builtin/packages/g2/package.py

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

---------

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-12 10:40:37 -07:00
Weiqun Zhang
002e833993
amrex: add v23.09 (#39788) 2023-09-12 10:39:56 -07:00
Martin Aumüller
02c9296db4
openexr: add 2.4.3, 2.5.9, 3.1.11 & 3.2.0 (#39863)
* openexr: add 2.4.3, 2.5.9, 3.1.11 & 3.2.0

- 2.5.9 is the latest version compatible with OpenScenGraph
- improved compatibility with GCC 13

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

* openexr: drop unsupported debug variant

--disable/enable-debug is not supported by ./configure in 1.3, 1.7, 2.0, 2.2 and 2.3

* openexr: transform into multi-build system package

simplifies package considerably, as nothing special seems to be required

* openexr: pkg-config is also used by @3

* openexr: use system libdeflate instead of internal

if no libdeflate is found, openexr would download and build its own starting with 3.2.0

* openexr: disable tests

would download lots of data during cmake and make build times noticably longer

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-12 10:37:48 -07:00
Vincent Michaud-Rioux
562065c427
Update PennyLane packages to v0.32. (#39688)
* Update PennyLane packages to v0.32.

* Reformat.

* Couple small fixes.

* Fix Lightning cmake_args.

* Couple dep fixes in py-pennylane + plugins.

* Fix scipy condition.

* Add comment on conflicting requirement.
2023-09-12 12:19:29 -05:00
Harmen Stoppels
9d00bcb286
openssl: deprecate 1.1.1 (#39942) 2023-09-12 12:45:51 +02:00
Harmen Stoppels
a009a1a62a
asp.py: fix deprecation warning (#39943) 2023-09-12 09:27:03 +00:00
Mikael Simberg
f7692d5699
Add gperftools 2.13 (#39940) 2023-09-12 11:26:19 +02:00
George Young
12e1768fdb
filtlong: add v0.2.1, patch for %gcc@13: (#39775)
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-12 04:03:02 -04:00
dependabot[bot]
28a3be3eca
build(deps): bump black from 23.7.0 to 23.9.1 in /lib/spack/docs (#39937)
Bumps [black](https://github.com/psf/black) from 23.7.0 to 23.9.1.
- [Release notes](https://github.com/psf/black/releases)
- [Changelog](https://github.com/psf/black/blob/main/CHANGES.md)
- [Commits](https://github.com/psf/black/compare/23.7.0...23.9.1)

---
updated-dependencies:
- dependency-name: black
  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>
2023-09-12 07:44:19 +02:00
Brian Van Essen
33500b5169
lbann: make two variants sticky (#39710)
* Make the state of the Python Front End (PFE) and Python data reader
support sticky so that the concretizer does not arbitrarily disable
them.

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-12 01:42:48 -04:00
Stephen Sachs
91011a8c5f
[gromacs] Fix 2021.2 build error (#39722)
* [gromacs] Fix 2021.2 build error

See https://gromacs.bioexcel.eu/t/compilation-failure-for-gromacs-2021-1-and-2021-2-with-cmake-3-20-2/2129

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

Co-authored-by: Andrey Alekseenko <al42and@gmail.com>

---------

Co-authored-by: Andrey Alekseenko <al42and@gmail.com>
2023-09-11 19:49:18 -04:00
Caetano Melone
4570c9de5b
fish: add 3.6.0, 3.6.1, update cmake requirement (#39899) 2023-09-11 19:34:33 -04:00
Adam J. Stewart
e7507dcd08
py-build: add v1 (#39930) 2023-09-11 19:04:32 -04:00
Dom Heinzeller
4711758593
Add awscli@1.29.41 and its dependency py-botocore@1.31.41 (#39878)
* Add awscli@1.29.41 and its dependency py-botocore@1.31.41

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

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>

---------

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>
2023-09-11 18:02:46 -04:00
Sinan
b55e9e8248
package_qscintilla_build_with_qt6 (#39544)
* package_qscintilla_build_with_qt6

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

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

* improve

* fix Qsci.abi3.so install

* simplify, fix, tidy

* fix style

* fix style

* fix style

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

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

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

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

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

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

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

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

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

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

* improve

* improve style

* fix style

* make black happy

* add ver 2.14.1

* update

* make black happy

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

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

* improve

---------

Co-authored-by: Sinan81 <Sinan@world>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11 16:58:28 -05:00
Adam J. Stewart
2e62cfea3e
py-black: add v23.9 (#39931) 2023-09-11 16:36:16 -05:00
Manuela Kuhn
286e1147d6
py-tifffile: add 2023.8.30 (#39918) 2023-09-11 16:34:20 -05:00
Manuela Kuhn
7e3d228d19
py-tinycss2: add 1.2.1 (#39921) 2023-09-11 16:32:42 -05:00
Manuela Kuhn
a1ab42c8c0
py-tomlkit: add 0.12.1 (#39922) 2023-09-11 16:31:55 -05:00
Rocco Meli
57a2f2ddde
tidynamics: add v1.1.2 (#39911)
* ensure umpire~cuda~rocm when ~cuda~rocm

* update tydynamics
2023-09-11 16:17:17 -05:00
Mike Renfro
b7b7b2fac4
correct py-bx-python@0.8.8 python dependency (#39766)
* correct python dependency for 0.8.8

* add missing zlib dependency

* restore missing whitespace

* correct versions for 0.9.0, clarify rules for future releases

* Update package.py

* Remove whitespace for black check
2023-09-11 16:16:28 -05:00
Tim Haines
5ac1167250
fpchecker: add version 0.4.0 (#39924) 2023-09-11 17:16:20 -04:00
Richard Berger
fcc4185132
cuda: add versions 12.2.0 and 12.2.1 (#39684) 2023-09-11 23:13:06 +02:00
sid
943c8091c2
py-fairscale and dependencies py-pgzip libgit2 py-pygit2 (#39220)
* simple build of py-openai

* added variants to py-openai

* py-pandas-stubs is a dependency for py-openai

* fixed format and flake8 errors for py-openai

* black format error for py-pandas-stubs

* [@spackbot] updating style on behalf of sidpbury

* made style and format changes to py-openai

* made style and format changes to py-pandas-stubs

* py-types-pytz is a dependency for py-openai

* [@spackbot] updating style on behalf of sidpbury

* updated py-openpyxl for ver 3.0.7 and 3.1.2

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

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

* ajs requested changes for py-openai

* updated py-openpyxl for supported python

* [@spackbot] updating style on behalf of sidpbury

* updated py-openpyxl

* removed requirement.txt dependencies in  py-openpyxl

* removed python depends on from openpyxl

* updated package to support newer versions

* updated version of py-pygit2

* py-fairscale is a new package in support of torch

* py-pgzip is a dependency for py-fairscale

* switch fairscale pypi, added extra variant for convenience

* removed python dependency

* changed multiple requirement versions

* changes for upstream py-fairscale

* changes for upsteam py-pygit2

* Update package.py

* Update package.py

* sorted out some of the dependency versions

* removed version 1.12.2 because dependency could not be met

* updated py-cached-property dependency

* suggested changes from adamjstewart

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11 16:11:02 -05:00
Nils Vu
a7a6f2aaef
spectre: add v2023.08.18 and v2023.09.07 (#39925) 2023-09-11 17:10:28 -04:00
Rocco Meli
5aaa82fb69
Update MDAnalysis (#39787)
* ensure umpire~cuda~rocm when ~cuda~rocm

* update mdanalysis

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

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11 16:06:20 -05:00
Simon Pintarelli
bc33d5f421
update q-e-sirius package (#39744) 2023-09-11 22:48:19 +02:00
Juan Miguel Carceller
0e4e232ad1
Add another url for whizard (#37354)
Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
2023-09-11 22:45:21 +02:00
Scot Halverson
145d44cd97
gdrcopy: inherit from CudaPackage, update dependencies (#39596) 2023-09-11 22:36:20 +02:00
Fábio de Andrade Barboza
e797a89fe1
py-pipdeptree: add new package; py-hatchling: add 1.18.0 (#39697)
* py-hatchling: add 1.18.0

* py-pipdeptree: add new package

* py-hatchling: add Python 3.8 dependency

* Apply suggestion from code review

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

---------

Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11 15:14:33 -05:00
Jose E. Roman
254a2bc3ea
SLEPc: add v3.19.2 (#39805)
Co-authored-by: Satish Balay <balay@mcs.anl.gov>
2023-09-11 22:13:21 +02:00