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2023-01-26wrf: Fix patching of config file when using GCC for v3.9.1.1 (#35140)Mosè Giordano1-2/+8
The regex doesn't actually work because dollar signs and parentheses have to be escaped. Also, compiling with OpenMPI requires defining the macro `MPI2SUPPORT`.
2023-01-26Extract functions to read spec files from different format (#35094)Massimiliano Culpo17-256/+374
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>
2023-01-26opencascade: add v7.7.0 (#35039)Wouter Deconinck1-1/+17
2023-01-26binutils: v2.30, 2.39, 2.40 (#35128)Harmen Stoppels2-19/+61
- 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
2023-01-26Add package for serenity and its scine wrapper (#35072)Sebastian Ehlert3-0/+238
2023-01-26test/config.py: fix import issues (#35076)Harmen Stoppels1-3/+5
2023-01-26Setting LIBDIR to lib in rocm-smi-lib across all platform (#34805)renjithravindrankannath1-1/+5
2023-01-26py-poetry-core GIT_DIR fix (#35139)mtaylo121-2/+2
2023-01-26ports-of-call: add v1.4.1, deprecate old versions (#35151)Richard Berger1-9/+18
2023-01-25NVIDIA HPC SDK: add v23.1 (#35169)Filippo Spiga1-0/+14
2023-01-26p5-h5py: restrict python version based on import bugs (#35166)Seth R. Johnson1-0/+1
``` 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.
2023-01-26Update gftl, gftl-shared, fargparse, pfunit, yafyaml, pflogger (#35119)Matthew Thompson6-2/+21
2023-01-25trilinos@14: conflicts with cxxstd=14 (#35164)eugeneswalker1-0/+1
2023-01-25py-sphobjinv: add v2.3.1 (#35044)Adam J. Stewart1-4/+9
2023-01-25py-pytorch-lightning: add +extra variant (#35121)Adam J. Stewart17-16/+696
* py-pytorch-lightning: add +extra variant * Update dependencies * py-fsspec: add v2023.1.0
2023-01-25perl-math-symbolic: add 0.612 (#35145)Christopher Christofi1-0/+17
2023-01-25qperf: add verbs support (#35147)Michael Kuhn1-0/+4
2023-01-25py-cligj: add v0.7.2 (#35149)Adam J. Stewart1-6/+8
2023-01-25py-pycocotools: add v2.0.6 (#35150)Adam J. Stewart1-3/+6
2023-01-25py-scikit-learn: add v1.2.1 (#35152)Adam J. Stewart1-0/+1
2023-01-25spiner: add v1.6.0 (#35154)Richard Berger1-21/+35
2023-01-25amqp-cpp: added RabbitMQ C++ API (#35156)Loïc Pottier1-0/+39
Signed-off-by: Loïc Pottier <pottier1@llnl.gov>
2023-01-25Add Orca version 5.0.3-f.1 (#35157)Sebastian Ehlert1-2/+18
2023-01-25py-colorlover: new package with version 0.3.0 (#35144)Christopher Christofi1-0/+17
2023-01-25Add packages for scine modules (#34969)Sebastian Ehlert11-0/+585
* 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
2023-01-25py-flatten-dict: require poetry to build. (#35122)Matthias Wolf1-2/+2
* 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>
2023-01-25py-lazy: add 1.4 and 1.5 (#35124)Erik Heeren1-0/+13
* py-lazy: add 1.4 and 1.5 * py-lazy: add url_for_version
2023-01-25Add package `py-continuum` (#35082)Thomas Bouvier2-0/+71
* 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>
2023-01-25py-pyspark: new versions (#35129)Erik Heeren2-8/+29
* py-pyspark: new versions * py-py4j: new versions * py-py4j: more style * py-py4j: even more style * py-spark, py4j: review remarks
2023-01-25Print file summary on checksum validation failure (#35161)Harmen Stoppels2-4/+35
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>
2023-01-25libxc: 6.1.0 (#35159)Harmen Stoppels1-8/+5
Currently 6.0.0 fails on develop about incorrect shasum, but I can't reproduce; maybe the download was temporarily unavailable.
2023-01-25Update COSTA package (#35137)Rocco Meli1-5/+14
2023-01-24py-scipy: do not build 1.6 and older with python < 3.10.1 (#35120)Gilles Gouaillardet1-4/+4
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
2023-01-24loki%gcc@11: -std=c++14 to avoid issue #32122 (#35148)eugeneswalker1-3/+4
2023-01-24LAMMPS: Add package ml-hdnnp. (#35133)Rémi Lacroix1-0/+21
First added as user-hdnnp in version 20210527.
2023-01-24Add package `py-nvidia-dali` (#35058)Thomas Bouvier1-0/+56
* Add package `py-nvidia-dali` * Add linux check * Add missing deps
2023-01-24Fix dbcsr checksums (#35134)Taillefumier Mathieu1-3/+3
2023-01-24hip: add cuda variant (#33872)Cory Bloor2-124/+141
2023-01-24New package: srcml (#35097)Jen Herting1-0/+37
* 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>
2023-01-24py-planetary-computer: add new package (#35089)Adam J. Stewart2-0/+42
2023-01-24Add whip 0.1.0 and use in pika (#35073)Mikael Simberg2-4/+8
* Add whip 0.1.0 * Make pika depend on whip@0.1.0 Co-authored-by: msimberg <msimberg@users.noreply.github.com>
2023-01-24rmgdft: Update for version 5.0.1 (#35047)Emil Briggs1-5/+10
* 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>
2023-01-24ForTrilinos: new version 2.2.0 (#35138)Seth R. Johnson1-1/+3
2023-01-24libgcrypt: make sure flags go through env (#35135)Harmen Stoppels1-0/+6
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
2023-01-24hdf5: remove direct dependency on msmpi on Windows (#35111)John W. Parent1-1/+0
2023-01-24mochi-margo: add v0.12 (#35132)Matthieu Dorier1-0/+1
2023-01-24Windows: conflict with Apple-GL (#35114)John W. Parent1-0/+2
2023-01-24Update dbcsr version (#35131)Taillefumier Mathieu1-0/+3
2023-01-24Avoid creating help.sh and test.sh in cwd (#35123)Massimiliano Culpo1-42/+35
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.
2023-01-23ParaView/VTK: Patch xdmf2 for HDF5 1.13 (#33930)kwryankrattiger7-2/+151
* 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