Commit Graph

33858 Commits

Author SHA1 Message Date
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
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