Commit graph

29320 commits

Author SHA1 Message Date
Ben Cowan
508fcd8240
Added newer versions of PyAMG and added dependencies for 4.2 and later. (#35185)
* Added newer versions of PyAMG and added dependencies for 4.2 and later.

* Fixed dependencies.
2023-01-27 13:11:21 -08:00
Sebastian Grimberg
bec79d9ee1
New Spack package: Palace (#35189) 2023-01-27 12:47:18 -08:00
Jean-Baptiste Skutnik
27775163ca
Added e4s-cl package (#35117)
* Added e4s-cl package

* Version order change

* Added e4s-cl dependencies

* Added python-sotools dependency

* [@spackbot] updating style on behalf of spoutn1k

* Add missing versions to py- packages

* Fix style

* [@spackbot] updating style on behalf of spoutn1k

* Update var/spack/repos/builtin/packages/e4s-cl/package.py

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

* Update var/spack/repos/builtin/packages/e4s-cl/package.py

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

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

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

* Add docker removing patch for e4s-cl

Co-authored-by: spoutn1k <spoutn1k@users.noreply.github.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-01-27 10:02:39 -08:00
Erik Heeren
b1cf512d78
py-nexusforge: add with dependencies (#35208)
* py-nexusforge: add with dependencies

* py-pyshacl, py-sseclient: more style

* py-hjson, py-nexus-sdk, py-nexusforge, py-puremagic: more style

* py-pyshacl: license update

* py-nexusforge, py-prettytable, py-pyshacl: review remarks

* py-nexusforge: make the variant mean something

Too hasty to commit...
2023-01-27 09:12:31 -08:00
Erik Heeren
0bfd06d0b6
Py ipyparallel (#35178)
* py-ipyparallel: add 8.4.1, which builds with py-hatchling

* py-ipyparallel: copyright and redundant py-setuptools dependency

* py-ipyparallel: py-packaging was dropped after 8.0.0
2023-01-27 08:52:23 -08:00
Jose E. Roman
367bd4d670
New patch release SLEPc 3.18.2 (#35176) 2023-01-27 07:44:19 -07:00
Mosè Giordano
8f359df2d3
libblastrampoline: Add v5.3.0 and v5.4.0 (#35194) 2023-01-27 09:51:18 +01:00
Massimiliano Culpo
cc2ae9f270
Add a maintainers directive (#35083)
fixes #34879

This commit adds a new maintainer directive,
which by default extend the list of maintainers
for a given package.

The directive is backward compatible with the current
practice of having a "maintainers" list declared at
the class level.
2023-01-27 07:51:24 +01:00
Erik Heeren
75f1077b4b
py-nptyping, py-typish: add package (#35126)
* py-typish: add package

* py-typish: style fix

* py-nptyping: new package

* py-nptyping, py-typish: review remarks

* py-nptying: style

* py-nptyping: generic url, avoid pypi for now
2023-01-26 10:21:38 -06:00
Erik Heeren
b1e6507060
py-deap: add 1.3.3 (#35175) 2023-01-26 10:19:03 -06:00
Adam J. Stewart
2981b4e5ee
py-rasterio: add v1.3.5 (#35167) 2023-01-26 15:41:05 +01:00
Harmen Stoppels
6847d73504
Cleanup of binary text relocation (#34188)
Move the relocation of binary text in its own class

Drop threaded text replacement, since the current bottleneck 
is decompression. It would be better to parallellize over packages,
instead of over files per package.

A small improvement with separate classes for text replacement is that we
now compile the regex in the constructor; previously it was compiled per
binary to be relocated.
2023-01-26 12:18:53 +01:00
Mosè Giordano
eeba92e788
wrf: Fix patching of config file when using GCC for v3.9.1.1 (#35140)
The regex doesn't actually work because dollar signs and parentheses have to be
escaped.  Also, compiling with OpenMPI requires defining the macro
`MPI2SUPPORT`.
2023-01-26 11:59:54 +01:00
Massimiliano Culpo
84917cfa79
Extract functions to read spec files from different format (#35094)
This commit makes explicit the format version of the spec file
we are reading from.

Before there were different functions capable of reading some
part of the spec file at multiple format versions. The decision
was implicit, since checks were based on the structure of the
JSON without ever checking a format version number.

The refactor makes also explicit which spec file format is used
by which database and lockfile format, since the information is
stored in global mappings.

To ensure we don't change the hash of old specs, JSON representations
of specs have been added as data. A unit tests checks that we read
the correct hash in, and that the hash stays the same when we
re-serialize the spec using the most recent format version.

Co-authored-by: Harmen Stoppels <me@harmenstoppels.nl>
2023-01-26 10:40:46 +01:00
Wouter Deconinck
14e327be23
opencascade: add v7.7.0 (#35039) 2023-01-26 10:36:49 +01:00
Harmen Stoppels
c329f7de33
binutils: v2.30, 2.39, 2.40 (#35128)
- Add `binutils +pgo`
- Add dejagnu build dep and fix its deps
- Default to -O3 -g0 when using gcc/clang to make binutils faster and
  smaller
2023-01-26 10:28:26 +01:00
Sebastian Ehlert
f686a90779
Add package for serenity and its scine wrapper (#35072) 2023-01-26 02:00:34 -07:00
Harmen Stoppels
918bb63c3a
test/config.py: fix import issues (#35076) 2023-01-26 09:53:44 +01:00
renjithravindrankannath
8d0cbb9812
Setting LIBDIR to lib in rocm-smi-lib across all platform (#34805) 2023-01-26 09:38:35 +01:00
mtaylo12
95a76de7d5
py-poetry-core GIT_DIR fix (#35139) 2023-01-26 09:26:53 +01:00
Richard Berger
0b388ff930
ports-of-call: add v1.4.1, deprecate old versions (#35151) 2023-01-26 08:18:55 +01:00
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