Commit graph

31911 commits

Author SHA1 Message Date
AMD Toolchain Support
77817a0f05
VASP package: Zen4 Support (#36800)
* zen4 support for vasp
* encourage openmp support in fftw/blas when +openmp
* enable gamma and non-collinear builds
2023-06-22 16:08:21 -04:00
Michael Kuhn
590d3ba6cf
freefem: add missing dependencies (#38290)
Also remove the custom `autoreconf` method as it does not seem to be
necessary and potentially hides useful output provided by the default.
2023-06-22 11:48:00 -07:00
Manuela Kuhn
1e8988f11d
py-notebook: add 6.5.4 (#38415)
* py-notebook: add 6.5.4

* [@spackbot] updating style on behalf of manuelakuhn

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

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

* Fix version of py-nbclassic dependency

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-22 12:14:38 -04:00
Ondřej Čertík
a889669cbc
Add LFortran (#30901)
It installs the LFortran runtime library and
LFortran can compile codes to binaries. The interactive mode does not
work yet with LLVM > 11, that has to be fixed upstream.

Co-authored-by: Wileam Y. Phan <50928756+wyphan@users.noreply.github.com>
2023-06-22 09:51:29 -06:00
Manuela Kuhn
fde33e66be
py-numexpr: add 2.8.4 (#38416) 2023-06-22 07:53:43 -04:00
mschouler
6314ddacf2
open turns: Add libxml2 dependency and increase version to v1.20 (#38038)
* Add libxml2 dependency and increase version to v1.20

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

Co-authored-by: Alec Scott <alec@bcs.sh>

* Add v19

* Add libxml2 variant

* Fix variant specification

---------

Co-authored-by: Marc Schouler <marc.schouler@inria.fr>
Co-authored-by: Alec Scott <alec@bcs.sh>
2023-06-22 06:27:59 -04:00
Manuela Kuhn
f935f36b21
py-platformdirs: add 3.5.3 (#38435)
* py-platformdirs: add 3.5.3

* py-typing-extensions: add 4.6.3
2023-06-22 05:54:17 -04:00
Manuela Kuhn
082934f73f
py-prompt-toolkit: add 3.0.38 (#38472) 2023-06-22 04:04:23 -04:00
Manuela Kuhn
3e9e01e496
py-patsy: add 0.5.3 (#38433) 2023-06-22 04:04:00 -04:00
Wouter Deconinck
2abbfe719d
qt: new version 5.15.10 (#38489)
No changes to the build system, no changes to `package.py` needed.

Changelog: https://github.com/qt/qtbase/compare/v5.15.9-lts-lgpl...v5.15.10-lts-lgpl

Main change taking up space:
- bundled 3rdparty/pcre2 updated from 10.39 to 10.40 (spack now includes 10.42, and we don't put specific version requirements in `package.py`)
2023-06-22 03:43:58 -04:00
Mikael Simberg
ace20c5d29
hpx: Add conflict with some GCC versions and +rocm due to valarray bug (#38297)
* hpx: Add conflict with some GCC versions and +rocm due to valarray bug

https://gcc.gnu.org/bugzilla/show_bug.cgi?id=103022

* remove conflict for %gcc@11.1.0 since there is none

---------

Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
2023-06-22 03:38:45 -04:00
Adam J. Stewart
f35fcee6be
py-pyproj: add v3.6.0 (#38399) 2023-06-22 03:14:08 -04:00
Manuela Kuhn
103370d84a
py-networkx: add 3.1 (#38377)
* py-networkx: add 3.1

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

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

* Add default variant

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-22 03:09:13 -04:00
Wouter Deconinck
6e47f1645f
opencascade: typo in True (#38487)
Not sure why flake8 didn't catch this as an undefined name, e.g. https://www.flake8rules.com/rules/F823.html.
2023-06-22 02:39:20 -04:00
Seth R. Johnson
53eb6c46db
Add VecGeom 1.2.3 and mark old versions as deprecated (#38483)
Co-authored-by: Ben Morgan <drbenmorgan@users.noreply.github.com>
2023-06-22 02:38:59 -04:00
miheer vaidya
00d769d644
add new package: daemonize (#38477) 2023-06-22 02:28:52 -04:00
Rémi Lacroix
b6b34aa0fe
IQ-TREE: Add version 2.2.2.7 (#38481) 2023-06-22 02:24:13 -04:00
Seth R. Johnson
83b9196e78
celeritas: new version 0.3.0 (#38438) 2023-06-22 02:23:50 -04:00
Wouter Deconinck
ed76eab694
geant4: new version 11.1.2 (#38475)
No changes required to the geant4 package.py file.

Changes: https://gitlab.cern.ch/geant4/geant4/-/compare/v11.1.1...v11.1.2

Release notes: https://geant4.web.cern.ch/download/release-notes/notes-v11.1.2.txt

Co-authored-by: Ben Morgan <drbenmorgan@users.noreply.github.com>
2023-06-22 02:18:50 -04:00
Tamara Dahlgren
930b843885
tests/py-chainer: convert to new stand-alone test process (#38365)
* tests/py-chainer: convert to new stand-alone test process
* py-chainer: add skip_modules entry for onnx_chainer
2023-06-22 01:51:42 -04:00
Manuela Kuhn
f53c68e005
py-pycairo: add 1.24.0 (#38503)
* py-pycairo: add 1.24.0

* Change python dependency to 3.8

* Remove upper bound for python dependency

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-21 16:47:35 -04:00
George Young
12a22eebc7
tetranscripts: new package @2.2.3 (#38485)
* tetranscripts: new package @2.2.3

* tidying up

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-06-21 15:43:48 -04:00
Matthieu Dorier
69eb15936c
[tclap] Adds new versions to tclap package (#38508) 2023-06-21 15:34:22 -04:00
shanedsnyder
c69dea5465
darshan-runtime,darshan-util,py-darshan: add 3.4.3 releases (#38359)
* add darshan 3.4.3 releases

* darshan-runtime 3.4.3
* darshan-util 3.4.3
* py-darshan 3.4.3.0
  - add py-humanize as new dependency

* py-darshan has strict darshan-util version reqs

darshan-util version required is based on the first 3 parts of
the py-darshan version string

* remove support for python3.6

* py-humanize dependency for 3.4.3+ versions

* only enforce scipy dependency for 3.4.0.1

* drop optional lxml dependency

* drop matplotlib pinning

* importlib-resources not a dep in python-3.7+

* drop unnecessary numpy pin

* add build dep for pytest-runner

* fix typo in pytest-runner package name

* pip setuptools to match pydarsan setup.py

* spack style fix
2023-06-21 14:31:17 -05:00
miheer vaidya
3bd8c4df28
neovim: add v0.9.(0|1) (#38463) 2023-06-21 15:07:37 -04:00
Manuela Kuhn
02dc697831
py-prometheus-client: add 0.17.0 (#38471) 2023-06-21 13:34:04 -04:00
Manuela Kuhn
87cb39b860
py-gsutil: add 5.24, fix and add dependencies (#38450)
* py-gsutil: add 5.24, fix and add dependencies

* Update var/spack/repos/builtin/packages/py-httplib2/package.py

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

* Add httplib2@0.20.4 and pin it in py-gsutil

* Add py-cryptography conflict

* Update var/spack/repos/builtin/packages/py-httplib2/package.py

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

* py-pyopenssl: fix py-cryptography conflict

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-21 13:33:42 -04:00
Erik Heeren
468138bb4f
mpich: undefined variable dso_suffix (#37373)
* mpich: undefined variable dso_suffix

* mpich: formatting

---------

Co-authored-by: Nichols A. Romero <naromero77@users.noreply.github.com>
2023-06-21 11:12:05 -05:00
Adam J. Stewart
a8534b7345
py-lightly: add v1.4.8 (#38397)
* py-lightly: add v1.4.8

* Fix typo

* Update deps as well

* typing-extensions dep needed earlier

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

* Runtime dep on setuptools removed in master

---------

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>
2023-06-21 11:47:24 -04:00
Manuela Kuhn
8ba45b0b99
py-pygments: add 2.15.1 (#38505) 2023-06-21 10:33:03 -05:00
Manuela Kuhn
6ae358edd8
py-pydicom: add 2.4.1 (#38504) 2023-06-21 10:30:47 -05:00
Manuela Kuhn
5ce45e0cee
py-psutil: add 5.9.5 (#38479)
* py-psutil: add 5.9.5

* Remove unneeded windows dependencies
2023-06-21 15:26:53 +00:00
George Young
b2901f1737
bulker: new package @0.7.3 (#38437)
* py-bulker: new package at 0.7.3

* bulker: renaming package

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-06-21 10:21:01 -05:00
Rocco Meli
6b552dedbc
Add MDAnalysis and MDAnalysisTests to 2.5.0 (#37968)
* update mda and mdatests

* black

* 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>

* polish

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

* fixes

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-21 10:08:48 -05:00
Christian Mauch
6b3d2c535f
py-tensorboard(-plugin-wit): remove unused patch files (#38360) 2023-06-21 10:08:12 -05:00
Adam J. Stewart
2727bd92d8
py-numpy: add v1.25.0 (#38461) 2023-06-21 10:03:50 -05:00
Martin Pokorny
ebbfc0363b
kokkos-nvcc-wrapper: add new versions (#38446) 2023-06-20 21:38:30 -04:00
Tamara Dahlgren
1b6e1fc852
tests/superlu: convert to new stand-alone test process (#38404)
* superlu: convert to new stand-alone test process
* Bugfix/superlu: add BaseBuilder and move post-install work to it
2023-06-20 16:46:11 -07:00
Matthieu Dorier
1376ec4887
[mochi-margo] margo version 0.14.0 added (#38473) 2023-06-20 18:48:21 -04:00
Stephen Sachs
0eec7c5c53
[WRF] Always use compiler wrappers for FFLAGS/FCFLAGS (#38470)
`FFLAGS` and `FCFLAGS` are being ignored by WRF build system. Not only in version
`3.9.1.1`, but also `4.x`.

Also, I see no reason to explicitly add `-w` and `-O2` to compile lines when
using `gcc@10:`. Tested for version `3.9.1.1`, `4.2.2`, & `4.5.0`.

Tagging original authors of this part @MichaelLaufer and @giordano in case they
want to chime in.
2023-06-20 18:24:31 -04:00
Valentin Volkl
05dd240997
fastjet: add v3.4.1, update patch (#38467) 2023-06-20 18:16:37 -04:00
Erik Schnetter
fb16c81b6c
mpiwrapper: New version 2.10.4 (#38448) 2023-06-20 18:16:15 -04:00
Erik Schnetter
7c3b33416f
mpitrampoline: New version 5.3.1 (#38449) 2023-06-20 18:08:00 -04:00
snehring
6755b74d22
ncbi-rmblastn: switching urls from ftp to https (#38490) 2023-06-20 16:03:48 -04:00
George Young
d0e843ce03
ncbi-rmblastn: patching to support building with %gcc@13: (#38382)
* ncbi-rmblastn: patching to support building with %gcc@13:
* ncbi-rmblastn: patching to build with %gcc@13:

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-06-20 12:42:22 -07:00
George Young
37f6231f2a
py-umi-tools: add 1.1.4, add py-pybktree dependency (#38394)
* py-umi-tools: add 1.1.4, add py-pybktree dependency

* remove python spec

* Remove `six` dependency

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-06-20 15:35:12 -04:00
snehring
d85f25a901
apptainer: adding version 1.1.9 (#38492) 2023-06-20 15:20:48 -04:00
Manuela Kuhn
2041b92d3a
py-pybids: add 0.16.1 (#38480) 2023-06-20 11:22:24 -05:00
Valentin Volkl
f461069888
root: fix variant detection (#38436) 2023-06-20 08:47:49 -05:00
Manuela Kuhn
9eb3de85c5
py-pre-commit: add 3.3.3 (#38468)
* py-pre-commit: add 3.3.3

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-06-19 18:30:42 -04:00