Commit Graph

36343 Commits

Author SHA1 Message Date
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
Fábio de Andrade Barboza
873652a33e py-enum-tools: add new package and dependencies (#39672)
* Adds package 'enum-tools'

* Fixes syntax

* py-enum-tools: update pypi link and dependencies

* py-whey: add new package

* py-consolekit: add new package

* py-shippinglabel: add new package

* py-project-parser: add new package

* py-handy-archives: add new package

* py-domdf-python-tools: add new package

* py-dom-toml: add new package

* py-dist-meta: add new package

* py-deprecation-alias: add new package

* py-pygments: add versions 2.16.0 and 2.16.1

* py-mistletoe: add new package

* py-apeye: add new package

* py-apeye-core: add new package

* Fix dependencies' names and remove redundancies

* Fix style

* py-enum-tools: fix dependencies

* py-mistletoe: update dependencies

* Apply suggestions from code review

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

* py-whey: fix dependencies

* py-whey: fix style

* py-apeye: fix dependencies

---------

Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11 15:12:46 -05:00
Travis
3f686734ab dakota: add v6.18 (#39882)
Co-authored-by: Travis Drayna <tdrayna@loki.local>
2023-09-11 22:06:16 +02:00
Thomas Madlener
e1373d5408 dd4hep: make sure to find libraries correctly (#39516) 2023-09-11 16:04:42 -04:00
dslarm
a2054564d8 ctffind: extend a Power 9 patch to AArch64 (#39137) 2023-09-11 16:04:20 -04:00
Sébastien Valat
ea75dbf7bd MALT: add v1.2.2 (#39890) 2023-09-11 21:57:36 +02:00
Sébastien Valat
63a67e525b NUMAPROF: add v1.1.5 (#39891) 2023-09-11 21:57:04 +02:00
Manuela Kuhn
95aaaeb5af py-dunamai: add 1.18.0 (#39849) 2023-09-11 14:56:34 -05:00
Harmen Stoppels
a0bd53148b glibc: fix deps, drop pre 2.17 (#39806)
* glibc: add missing deps, drop < 2.17

Building glibc 2.17 requires linking libgcc_{s,eh}.a, which themselves
depend on whatever glibc the current gcc uses for its runtime libraries.

Newer gcc depends on gnu extensions of libdl it seems, so that means you
simply cannot build old glibc with gcc-using-new-glibc.

The relevant fix in glibc is this commit:

commit 95f5a9a866695da4e038aa4e6ccbbfd5d9cf63b7
Author: Joseph Myers <joseph@codesourcery.com>
Date:   Tue Jul 3 19:14:59 2012 +0000

    Avoid use of libgcc_s and libgcc_eh when building glibc.

See also references to that commit in the glibc mailing list.

* update the gmake bound

* add --without-selinux
2023-09-11 10:45:53 -07:00
Massimiliano Culpo
3302b176fd Update archspec to latest commit (#39920)
- [x] Intel flags for old architectures
- [x] Support for Sapphire Rapids
- [x] Cache the "ancestors" computation
2023-09-11 10:03:35 -07:00
Taillefumier Mathieu
4672346d9c Support of versions of cp2k below 7 marked as deprecated (#39652)
SIRIUS was introduced in version 7 of cp2k but could be used
in practice in version 9 (input format and functionalities).
SIRIUS with version 6 and below are marked as a dependency
conflict until CP2K version 9.

Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
2023-09-11 18:46:52 +02:00
Tom Payerle
4182e97761 elpa: Add --enable-scalapack-tests to configure when +autotune (#39728)
When building elpa +autotune, we apparently need to add
the configure option --enable-scalapack-tests
2023-09-11 18:37:56 +02:00
Seth R. Johnson
5598de88ff celeritas: add v0.3.2 (#39879) 2023-09-11 12:18:48 -04:00
Simon Pintarelli
d88ecf0af0 sirius: fix cuda_arch flags (#39889) 2023-09-11 12:13:49 -04:00
Scott Wittenburg
516f0461b8 gitlab ci: Use image with awscli for rebuild-index job (#39636)
Instead of pointing to the image on DockerHub, which rate limits us and
causes pipeline failures durying busy times, use the version at ghcr.

And we might as well use the ghcr version everywhere else too.
2023-09-11 18:03:11 +02:00
Alex Richert
b8cf7c3835 w3emc: add develop version and more variants (#39884)
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-11 18:02:50 +02:00
Annop Wongwathanarat
707684a7b7 acfl: map rocky9 to RHEL-9 (#39892) 2023-09-11 11:58:45 -04:00
Alex Richert
739aebbd18 sp: add develop version, build precision, and OpenMP support (#39874)
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-09-11 17:41:32 +02:00
Tao Lin
71c053c391 Garfield++: Add the patch to fix the missing headers and Set the environment variable HEED_DATABASE (#39904) 2023-09-11 11:13:22 -04:00
Thomas Gruber
9a0a4eceaf likwid: search library path for compilation with hwloc (#39659) 2023-09-11 11:03:21 -04:00
kjrstory
19f8e9147d openfoam-org: zoltan renumbering and decompsition (#39915) 2023-09-11 16:42:50 +02:00
George Young
e99750fd3c transdecoder: add 5.7.1 (#39916)
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-11 16:37:36 +02:00
George Young
33cde87775 gffcompare: new package @0.12.6 (#39917)
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-11 16:13:49 +02:00
Annop Wongwathanarat
e63597bf79 wrf: fix patches for 4.2 to 4.4.2 for aarch64 config (#39900) 2023-09-11 16:02:21 +02:00
Robert Cohn
2f63342677 intel-oneapi-mkl: hpcx-mpi support (#39750) 2023-09-11 15:47:52 +02:00
Freifrau von Bleifrei
04eae7316f DisCoTec: add new package (#35239)
Co-authored-by: Alexander Van Craen <40516079+vancraar@users.noreply.github.com>
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-11 04:18:00 -04:00
Adam Fidel
67d6c086d8 singularity: fix package name in comment (#39822) 2023-09-10 12:33:10 -04:00
Mark (he/his) C. Miller
69370c9c8f Update package H5Z-ZFP to 1.1.1 (#39740)
* update to 1.1.1

* add maintainers

* add 1.1.0; set default
2023-09-10 09:27:24 -07:00
Rocco Meli
9948785220 spglib: add v2.1.0 (#39910)
* ensure umpire~cuda~rocm when ~cuda~rocm

* update spglib
2023-09-10 08:48:13 -07:00
dependabot[bot]
4047e025e0 build(deps): bump docker/build-push-action from 4.1.1 to 4.2.1 (#39901)
Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 4.1.1 to 4.2.1.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](2eb1c1961a...0a97817b6a)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  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>
2023-09-10 09:52:15 +02:00
dependabot[bot]
783bbdf2db build(deps): bump actions/upload-artifact from 3.1.2 to 3.1.3 (#39852)
Bumps [actions/upload-artifact](https://github.com/actions/upload-artifact) from 3.1.2 to 3.1.3.
- [Release notes](https://github.com/actions/upload-artifact/releases)
- [Commits](0b7f8abb15...a8a3f3ad30)

---
updated-dependencies:
- dependency-name: actions/upload-artifact
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
develop-2023-09-10
2023-09-08 22:58:55 +02:00
Thomas Madlener
a65f13f79f root: add latest available tag (#39895) 2023-09-08 14:48:54 -04:00
John W. Parent
fc391d5332 NMake Builder: change property name (#39824)
NMake makefiles are still called makefiles. The corresponding builder
variable was called "nmakefile", which is a bit unintuitive and lead
to a few easy-to-make, hard-to-notice mistakes when creating packages.
This commit renames the builder property to be "makefile"
2023-09-08 11:23:13 -07:00
eugeneswalker
e05f12f18e veloc: add v1.7 (#39465)
* updates for VELOC 1.6

* veloc: add v1.7

---------

Co-authored-by: Bogdan Nicolae <bogdan.nicolae@acm.org>
2023-09-08 12:57:14 -05:00
John W. Parent
14f248652c Spack on Windows: fix shell scripts when root contains a space (#39875)
Enclose variable tracking root in quotes.
2023-09-08 13:49:16 -04:00
AMD Toolchain Support
87f99de3fb Cloverleaf-ref: proposal for a -ref version only (#39894)
* Cloverleaf-ref: proposal for a -ref version only
* Cloverleaf-ref: fixing typo.

---------

Co-authored-by: fpanichi <fpanichi@amd.com>
2023-09-08 10:47:00 -07:00