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Author SHA1 Message Date
Filippo Spiga
d25ac66a5d
NVIDIA HPC SDK: add v23.1 (#35169) 2023-01-25 22:47:38 -08:00
Seth R. Johnson
682ffd30ac
p5-h5py: restrict python version based on import bugs (#35166) 
```
  File ".../spack/var/spack/environments/scale-mpi/.spack-env/._view/4yiorsdd4pefrnwgrwlwt3yzo5i235il/lib/python3.10/site-packages/h5py/_hl/base.py", line 19, in <module>
     from collections import (Mapping, MutableMapping, KeysView,
ImportError: cannot import name 'Mapping' from 'collections' (.../spack/var/spack/environments/scale-mpi/.spack-env/._view/4yiorsdd4pefrnwgrwlwt3yzo5i235il/lib/python3.10/collections/__init__.py)
```

Fixed in https://github.com/h5py/h5py/pull/1069 which was first merged
in v2.9.
 2023-01-26 07:28:39 +01:00
Matthew Thompson
af3dba8db6
Update gftl, gftl-shared, fargparse, pfunit, yafyaml, pflogger (#35119) 2023-01-26 07:06:05 +01:00
eugeneswalker
08a24b5e03
trilinos@14: conflicts with cxxstd=14 (#35164) 2023-01-25 20:33:44 -08:00
Adam J. Stewart
65fbc5a461
py-sphobjinv: add v2.3.1 (#35044) 2023-01-25 14:09:00 -08:00
Adam J. Stewart
80f3888cc8
py-pytorch-lightning: add +extra variant (#35121) 
* py-pytorch-lightning: add +extra variant

* Update dependencies

* py-fsspec: add v2023.1.0
 2023-01-25 15:58:26 -06:00
Christopher Christofi
5845750a10
perl-math-symbolic: add 0.612 (#35145) 2023-01-25 13:25:49 -08:00
Michael Kuhn
c529a0fddf
qperf: add verbs support (#35147) 2023-01-25 13:20:55 -08:00
Adam J. Stewart
d7265d7ddc
py-cligj: add v0.7.2 (#35149) 2023-01-25 13:17:20 -08:00
Adam J. Stewart
df0be87ada
py-pycocotools: add v2.0.6 (#35150) 2023-01-25 13:14:21 -08:00
Adam J. Stewart
af2aeb275f
py-scikit-learn: add v1.2.1 (#35152) 2023-01-25 13:10:57 -08:00
Richard Berger
4fef0bac20
spiner: add v1.6.0 (#35154) 2023-01-25 13:08:16 -08:00
Loïc Pottier
b32a07bbe1
amqp-cpp: added RabbitMQ C++ API (#35156) 
Signed-off-by: Loïc Pottier <pottier1@llnl.gov>
 2023-01-25 13:05:32 -08:00
Sebastian Ehlert
8709dbc232
Add Orca version 5.0.3-f.1 (#35157) 2023-01-25 12:18:46 -08:00
Christopher Christofi
54b9e3ce07
py-colorlover: new package with version 0.3.0 (#35144) 2023-01-25 11:36:43 -06:00
Sebastian Ehlert
d35c24a3ed
Add packages for scine modules (#34969) 
* Add packages for scine modules

- lbfgspp (dependency for scine-utilities)
- scine-core
- scine-utilities and py-scine-utilities (virtual)
- scine-readuct and py-scine-readuct (virtual)
- scine-sparrow and py-scine-sparrow (virtual)
- scine-database and py-scine-database (virtual)
- scine-molassembler and py-scine-molassembler (virtual)
- scine-xtb and py-scine-xtb (virtual)
- py-scine-chemoton
- py-scine-puffin

* Fix line-length for flake8

* Remove virtual dependencies

* Update detection of boost, minor fixes in packages / dependencies

* Correctly declare build-only dependencies, add git versions

* Add sparrow dummy packages, fix dependencies

* Rename latest version from develop to master

* Restore original sparrow package

* Also rename latest version for chemoton and puffin
 2023-01-25 11:33:37 -06:00
Matthias Wolf
d4d200952e
py-flatten-dict: require poetry to build. (#35122) 
* py-flatten-dict: require poetry to build.

The sources seem to contain a bundled, auto-generated `setup.py`.
Building with `pip` insist on using Poetry as mentioned in
`pyproject.toml`, so require it as a build dependency.

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

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

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

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

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
 2023-01-25 11:33:04 -06:00
Erik Heeren
902a40bf72
py-lazy: add 1.4 and 1.5 (#35124) 
* py-lazy: add 1.4 and 1.5

* py-lazy: add url_for_version
 2023-01-25 11:24:50 -06:00
Thomas Bouvier
a2d51cd4db
Add package py-continuum (#35082) 
* Add package `py-continuum`

* `py-continuum`: missing `py-pytest-mock` dependency

* `py-continuum`: add missing python dependency

* [@spackbot] updating style on behalf of thomas-bouvier

* Patch to remove useless `prospector` package

* Link to original PR

Co-authored-by: thomas-bouvier <thomas-bouvier@users.noreply.github.com>
 2023-01-25 11:23:35 -06:00
Erik Heeren
f8e433689a
py-pyspark: new versions (#35129) 
* py-pyspark: new versions

* py-py4j: new versions

* py-py4j: more style

* py-py4j: even more style

* py-spark, py4j: review remarks
 2023-01-25 11:22:43 -06:00
Harmen Stoppels
5f8c09fd33
Print file summary on checksum validation failure (#35161) 
Currently we print "sha256 checksum failed for [file]. Expected X but
got Y".

This PR extends that message with file size and contents info:

"... but got Y. File size = 123456 bytes. Contents = b'abc...def'"

That way we can immediately see if the file was downloaded only
partially, or if we downloaded a text page instead of a binary, etc.

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
 2023-01-25 15:02:41 +00:00
Harmen Stoppels
8eb4807615
libxc: 6.1.0 (#35159) 
Currently 6.0.0 fails on develop about incorrect shasum, but I can't
reproduce; maybe the download was temporarily unavailable.
 2023-01-25 14:12:59 +01:00
Rocco Meli
047a481e48
Update COSTA package (#35137) 2023-01-25 12:01:46 +01:00
Gilles Gouaillardet
051abfb894
py-scipy: do not build 1.6 and older with python < 3.10.1 (#35120) 
py-scipy 1.6 and older come with pre cython-ized files that
use the _PyGen_Send symbol that was removed from python 3.10.0.161,
so do not build these old versions with python 3.10.1 and later
 2023-01-24 18:32:21 -08:00
eugeneswalker
0447ba1213
loki%gcc@11: -std=c++14 to avoid issue #32122 (#35148) 2023-01-24 17:42:33 -08:00
Rémi Lacroix
ff3dbe9394
LAMMPS: Add package ml-hdnnp. (#35133) 
First added as user-hdnnp in version 20210527.
 2023-01-24 17:15:23 -08:00
Thomas Bouvier
90d00f8a59
Add package py-nvidia-dali (#35058) 
* Add package `py-nvidia-dali`

* Add linux check

* Add missing deps
 2023-01-24 18:26:04 -06:00
Taillefumier Mathieu
fdc6bd3f1c
Fix dbcsr checksums (#35134) 2023-01-24 22:33:12 +01:00
Cory Bloor
d17aaf8729
hip: add cuda variant (#33872) 2023-01-24 22:30:58 +01:00
Jen Herting
ef6699b874
New package: srcml (#35097) 
* Initial srcml
* [srcml]
  - Fixed dependencies likely will need some more rework
  - Disabling packaging cmake file (for now)
  - Added patch to fix issue with source code library import
* [srcml] updated copyright
* [srcml] requires antlr complied with -fPIC
* [srcml] cleaned up dependencies
* [srcml] flake8
* [srcml] limiting boost versions

Co-authored-by: Benjamin Meyers <bsmits@rit.edu>
Co-authored-by: qwertos <qwertos@users.noreply.github.com>
 2023-01-24 13:13:56 -08:00
Adam J. Stewart
f5418ac344
py-planetary-computer: add new package (#35089) 2023-01-24 10:25:29 -08:00
Mikael Simberg
909a5b1d83
Add whip 0.1.0 and use in pika (#35073) 
* Add whip 0.1.0
* Make pika depend on whip@0.1.0

Co-authored-by: msimberg <msimberg@users.noreply.github.com>
 2023-01-24 10:20:10 -08:00
Emil Briggs
9a0884bfed
rmgdft: Update for version 5.0.1 (#35047) 
* Updated for RMG version 5.0.1
* Update var/spack/repos/builtin/packages/rmgdft/package.py

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
 2023-01-24 10:18:05 -08:00
Seth R. Johnson
a9d5db572c
ForTrilinos: new version 2.2.0 (#35138) 2023-01-24 09:52:45 -08:00
Harmen Stoppels
16dbbb9b26
libgcrypt: make sure flags go through env (#35135) 
Parts of libgcrypt should not be optimized with -O1/2/3, so it's best to
let the build system do that; the build system cannot know the compiler
wrapper would inject optimization flags
 2023-01-24 09:47:33 -08:00
John W. Parent
3695200a3c
hdf5: remove direct dependency on msmpi on Windows (#35111) 2023-01-24 07:57:40 -08:00
Matthieu Dorier
a1b2ba412b
mochi-margo: add v0.12 (#35132) 2023-01-24 16:46:27 +01:00
John W. Parent
c81f1235a9
Windows: conflict with Apple-GL (#35114) 2023-01-24 16:41:30 +01:00
Taillefumier Mathieu
eaa16338de
Update dbcsr version (#35131) 2023-01-24 15:38:49 +01:00
Massimiliano Culpo
115b6b2a51
Avoid creating help.sh and test.sh in cwd (#35123) 
When running unit-test the test/ci.py module is leaving
garbage (help.sh, test.sh files) in the current working
directory.

This commit changes the current working directory to a
temporary path before those files are created.
 2023-01-24 03:42:15 -08:00
kwryankrattiger
cd2d6a6397
ParaView/VTK: Patch xdmf2 for HDF5 1.13 (#33930) 
* ParaView/VTK: Patch xdmf2 for HDF5 1.13

* Meson: update meson build system for 0.64

* ParaView: Change HDF5 1.13 patch to 1.13.1/2 patchs

* Mesa: Remove legacy mesa option from meson_args

* Use append to assemble meson args
 2023-01-23 19:22:21 -08:00
Erik Schnetter
c5086a5d0e
curl: New version 7.87.0 (#35088) 2023-01-23 19:02:31 -08:00
downloadico
b5fc217dc2
actually add samtools 1.16.1 and fix Copyright dates on samtools, bcftools, and htslib (#35118) 
* samtools: add version 1.16.1 (for real this time!)
also, fix Copyright date

* bcftools and htslib: fix Copyright date
 2023-01-23 17:37:40 -08:00
Richarda Butler
a4b8753456
Update: spack help --spec (#35115) 
* Update variant & compiler propagation
* Add the info for non boolean variants
* Add example for multi variants
 2023-01-24 00:42:08 +00:00
Jean-Luc Fattebert
f3e7669400
Update qmd-progress package.py (#34841) 2023-01-23 14:20:19 -08:00
HELICS-bot
042d305ed0
helics: Add version 3.4.0 (#35096) 
Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
 2023-01-23 13:56:19 -08:00
Rémi Lacroix
aca4be1fff
n2p2: Allow building shared libraries (#35080) 2023-01-23 13:46:19 -08:00
Alex Richert
beba33b2d8
Update parallelio from NOAA-EMC fork (#34837) 2023-01-23 22:29:06 +01:00
Wouter Deconinck
0f2e0a01a9
freeimage: fails to compile with c++17, use c++14 (#35067) 
* freeimage: fails to compile with c++17, use c++14
  Only `opencascade` when a (non-default) variant depends on `freeimage`, which seems to have gone unmaintained. There are c++17 standard violations [[1]]( https://en.cppreference.com/w/cpp/language/except_spec) in the code, so we can at most expect c++14. Since some compilers default to c++17 (gcc-12) we need to be explicit.
* freeimage: install directly in prefix
* freeimage: fix inverted patch
 2023-01-23 12:14:19 -08:00
downloadico
c2d68975bc
update Samtools, bcftools, and htslib versions (#35043) 
* samtools: add version 1.6.1
* htslib: update version to 1.6
* bcftools: update version to 1.6
 2023-01-23 12:13:05 -08:00