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2023-02-16py-pynrrd: new package (#35505)Erik Heeren1-0/+20
2023-02-16py-cmake-format: new version, new variants (#35485)Erik Heeren1-1/+8
* py-cmake-format: new version, new variants * Update var/spack/repos/builtin/packages/py-cmake-format/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-02-16py-luigi: add v3.2.0 (#35507)genric1-0/+1
2023-02-16py-cufflinks: new package version with 0.17.3 (#35427)Christopher Christofi1-0/+25
* py-cufflinks: new package version with 0.17.3 * Update var/spack/repos/builtin/packages/py-cufflinks/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-02-16py-fiona: python is a link dep (#35516)Adam J. Stewart1-0/+1
2023-02-16added support zen4 support for gromacs (#35503)AMD Toolchain Support1-1/+4
Co-authored-by: Umashankar Sivakumar <Umashankar.Sivakumar@amd.com>
2023-02-16dakota: run acceptance tests (#29654)Andrew-Dunning-NNL1-0/+3
* dakota: run acceptance tests * dakota: updated style guide
2023-02-16fuse-overlayfs: add v1.10 (#35512)Massimiliano Culpo1-0/+1
2023-02-16rdma-core: add static variant (#35308)Andrew-Dunning-NNL1-0/+8
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-02-16view: fix issue with non-contributing specs (#34661)Harmen Stoppels3-13/+68
Specs that did not contribute any files to an env view caused a problem where zip(specs, files grouped by prefix) got "out of sync", causing the wrong merge map to be passed to a package's `add_files_to_view`, which specifically caused an issue where *sometimes* bin/python ended up as a symlink instead of a copy. One such example is kokkos + kokkos-nvcc-wrapper, as the latter package only provides the file bin/nvcc_wrapper, which is also added to view by kokkos, causing kokkos-nvcc-wrapper to contribute 0 files. The test feels a bit contrived, but it captures the problem... pkg a is added first and has 0 files to contribute, pkg b adds a single file, and we check if pkg b receives a merge map (and a does not).
2023-02-16esmf: use setup_build_environment instead of edit (#35249)Alex Richert1-52/+51
2023-02-16openssl: New version 1.1.1t (#35419)Erik Schnetter1-2/+12
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2023-02-16simplify cdash filename (#35509)Harmen Stoppels1-8/+1
2023-02-16pfunit: add v4.6.3, clean up recipe (#35510)Massimiliano Culpo1-42/+75
* pfunit: add v4.6.3 * pfunit: use CMakePackage methods to define arguments * pfunit: deprecate v3.X, make a variant conditional * pfunit: simplify setting up environment variables Reading the docs it seems only v3 needs F90_VENDOR to be set * pfunit: fix option names The names set before were unused * pfunit: shared libraries seem not to be supported See https://github.com/Goddard-Fortran-Ecosystem/pFUnit/issues/308#issuecomment-874725759
2023-02-16openblas: Use more stable URL as source (#35428)Mosè Giordano1-1/+1
2023-02-16gromacs: add 2021.7, 2022.5, 2023, and some requirements (#35413)Carlos Bederián1-0/+18
2023-02-16cp2k: explicitly use C99 standard (#34957)Mosè Giordano1-0/+4
2023-02-16Add py-mlflow and its dependencies (#34463)Erik Heeren10-1/+199
* Add py-mlflow and its dependencies * mlflow: fix syntax error in package.py * py-mlflow: cleanup Process review remarks, add missing dependencies, add skinny variant * Apply suggestions from code review * Fix flake8 issues * More formatting fixes * Fix py-waitress dependency version * py-mlflow: platform-specific dependency * Update var/spack/repos/builtin/packages/py-mlflow/package.py * Update var/spack/repos/builtin/packages/py-mlflow/package.py * Process review remarks * Fix typo in dependency version * py-shap: fix dependencies * py-arrow: fix dependencies * py-slicer: remove py-setuptools explicit version * py-pyarrow: dataset variant and pass options through environment It appears there are some issues when using `pip install` instead of `python setup.py` - this setup_build_environment should fix that. * py-pyarrow: review remark * Decouple setup_build_environment from install_options * py-pyarrow: style * Bump licenses to 2023 --------- Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Matthias Wolf <matthias.wolf@epfl.ch>
2023-02-16EVE 2023.02.15 update (#35493)Joel Falcou1-1/+5
2023-02-16bump mochi-margo to 0.13 (#35499)Phil Carns1-0/+1
2023-02-16thrift: add v0.17.0 (#35210)Thomas Bouvier1-10/+17
2023-02-16lammps: refactor variants, add new versions (#34011)Richard Berger1-605/+359
2023-02-16spack buildcache create: push all deps / cleanup (#34860)Harmen Stoppels2-38/+28
2023-02-16spack uninstall: follow run/link edges on --dependents (#34058)Harmen Stoppels6-42/+111
`spack gc` removes build deps of explicitly installed specs, but somehow if you take one of the specs that `spack gc` would remove, and feed it to `spack uninstall /<hash>` by hash, it complains about all the dependents that still rely on it. This resolves the inconsistency by only following run/link type deps in spack uninstall. That way you can finally do `spack uninstall cmake` without having to remove all packages built with cmake.
2023-02-16Avoid verifying variants in default package requirements (#35037)Massimiliano Culpo3-23/+58
Default package requirements might contain variants that are not defined in each package, so we shouldn't verify them when emitting facts for the ASP solver. Account for group when enforcing requirements packages:all : don't emit facts for requirement conditions that can't apply to current spec
2023-02-16buildcache create: avoid prefix copy (#35173)Harmen Stoppels1-37/+40
2023-02-16CHANGELOG.md: v0.19.1 (#35429)Harmen Stoppels1-0/+25
2023-02-16netcdf-c: add patch to enable '@4.9.0:~mpi+parallel-netcdf' (#35462)Sergey Kosukhin2-0/+14
2023-02-16Add support for star-ccm-plus v17 (#35056)rfbgo1-1/+9
2023-02-16cp2k: add v2023.1 (#35346)Rémi Lacroix1-5/+11
2023-02-16ROCm packages: add v5.4.3 release (#35478)Sreenivasa Murthy Kolam47-114/+174
2023-02-15py-pytorch-lightning: add v1.9.2Adam J. Stewart1-0/+1
2023-02-15XZ package: enable building on Windows (#35095)John W. Parent1-3/+62
* Convert XZ to multi build system * Add MSBuild builder to XZ to support Windows compatibility
2023-02-15Use the `maintainers` directive in all base classes (#35324)Adam J. Stewart5-13/+22
* Use the `maintainers` directive in all base classes * Update unit tests
2023-02-14Orca: Added required runtime libraries (#35481)Hector Martinez-Seara1-0/+5
* Update package.py Several libraries are need to be present at run time so that the code can be run in parallel. I have added them as dependencies and to LD_LIBRARY_PATH. Orca comes as a binary so the libraries cannot be added as RPATH at compilation time. Also, orca 5.0.3 was compiled against 4.1.1, not 4.1.2.
2023-02-14Add gsl-lite from JCSDA/NOAA-EMC spack fork (#35468)Dom Heinzeller1-0/+50
* Add gsl-lite from JCSDA/NOAA-EMC spack fork * Black-format var/spack/repos/builtin/packages/gsl-lite/package.py * Update maintainers and remove redundant dependency in var/spack/repos/builtin/packages/gsl-lite/package.py
2023-02-14py-matplotlib: add v3.7.0 (#35471)Adam J. Stewart1-5/+5
2023-02-14libmonitor: add version 2023.02.13 (#35474)Mark W. Krentel1-0/+1
2023-02-14fftw-api should be used for amdfftw and mkl (#35477)nkgh771-5/+6
fftw-api should be used instead of fftw because amdfftw and mkl can be linked.
2023-02-14Remove obsolete autotools patches (#35479)Sergey Kosukhin12-593/+0
* netcdf-fortran: remove obsolete Autotools patches * openmpi: remove obsolete Autotools patches * parallel-netcdf: remove obsolete Autotools patches
2023-02-14fix intel-tbb build with rocmcc (#35472)Philipp Edelmann1-1/+1
rocmcc is a clang compiler. Pass that information on to the TBB build system.
2023-02-14Update cce.py (#35469)luker1-0/+5
* Update cce.py adding c++17 flag for cce * Update cce.py
2023-02-13Add fortls (#35455)Rocco Meli1-0/+26
* fortls * Update var/spack/repos/builtin/packages/py-fortls/package.py * review * Update var/spack/repos/builtin/packages/py-fortls/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * fixes * review --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-02-13ci: gpu test stack: turn off cuda@11.7 builds (#35467)eugeneswalker1-10/+0
2023-02-13py-radiant-mlhub: add new versions (#35470)Adam J. Stewart1-2/+6
2023-02-13py-rasterio: add v1.3.6 (#35464)Adam J. Stewart1-15/+16
2023-02-13shtools: New version 4.10.1 (#35452)Erik Schnetter1-2/+3
2023-02-13Add hdf5-vol-log version 1.4.0. (#35453)Larry Knox1-0/+1
2023-02-13Add chemfiles and py-chemfiles (#35410)Rocco Meli2-0/+53
2023-02-11py-pip: add v23.0 (#35369)Adam J. Stewart1-0/+5