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2023-03-20diffutils: add v3.9 (#35852)Alec Scott1-0/+1
2023-03-20harminv: add v1.4.2 and update URL to maintained git repository (#36062)Alec Scott1-4/+4
2023-03-19py-setuptools-git-versioning: new package (#36123)Angus Gibson1-0/+22
* py-setuptools-git-versioning: new package * Apply suggestions from code review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-03-19qt-* (Qt6 pkgs): new version 6.4.3 (#36235)Wouter Deconinck5-0/+7
2023-03-18bumpversion: add v0.6.0 and bump2version dependency (#36021)Alec Scott2-0/+19
* bumpversion: add v0.6.0 * Add bump2version dependency package
2023-03-19Fix case spelling for Lmod and Tcl (#36215)Xavier Delaruelle7-7/+7
2023-03-18py-hepunits: new versions 2.2.0, 2.2.1, 2.3.0, 2.3.1 (#35545)Wouter Deconinck1-3/+13
* py-hepunits: new versions 2.2.0, 2.2.1, 2.3.0, 2.3.1 Python 2 support dropped in 2.2 series. Ref: https://github.com/scikit-hep/hepunits/compare/v2.1.1...v2.3.1 * py-hepunits: py-hatchling as of version 2.3 * [@spackbot] updating style on behalf of wdconinc * py-hepunits: only depends_on toml through 2.1.1 --------- Co-authored-by: wdconinc <wdconinc@users.noreply.github.com>
2023-03-18New package py-pyhull (#36107)Benjamin Meyers1-0/+24
* New package py-pyhull * [@spackbot] updating style on behalf of meyersbs
2023-03-18New package py-seekpath (#36108)Benjamin Meyers1-0/+23
* New package py-seekpath * [@spackbot] updating style on behalf of meyersbs
2023-03-18New package py-pyisemail (#36112)Benjamin Meyers1-0/+22
2023-03-18py-scikit-image: add v0.20.0 (#36167)Adam J. Stewart5-29/+73
* py-scikit-image: add v0.20.0 * [@spackbot] updating style on behalf of adamjstewart --------- Co-authored-by: adamjstewart <adamjstewart@users.noreply.github.com>
2023-03-18cmake build system: make "generator" a variant (#35552)Massimiliano Culpo48-116/+65
2023-03-18Fix wrong computation of concrete specs due to a bug in intersects (#36194)Massimiliano Culpo1-0/+2
fixes #36190
2023-03-18patchelf: add v0.17.2 (#36203)Alec Scott1-0/+1
2023-03-18ffmpeg: add v6.0 (#35857)Alec Scott2-2/+3
* ffmpeg: add v6.0 * Add limit to py-torchvision to prevent ffmpeg v6.0
2023-03-17cython: force through env variable (#35995)Harmen Stoppels2-0/+44
2023-03-17libsigsegv: add v2.14 (#36070)Alec Scott1-0/+1
2023-03-17geant4: new version 11.0.4 (#36185)Ben Morgan1-0/+1
2023-03-17libpciaccess: add v0.17 (#36076)Alec Scott1-0/+1
2023-03-17Update PennyLane and PennyLane Lightning (#35406)Amintor Dusko4-20/+158
2023-03-17libxdmcp: add v1.1.4 (#36074)Alec Scott1-0/+1
2023-03-17Bazel: limit parallelism (#36002)Adam J. Stewart5-10/+37
* Bazel: limit parallelism * Patch packages that don't directly invoke bazel * Style fixes * flag comes after build, not bazel * flag comes after build, not bazel * command is only attribute if specific package
2023-03-17veccore: new version 0.8.1 (#36184)Seth R. Johnson2-6/+3
2023-03-17Switch GROMACS build type to Release (#36181)Szilárd Páll1-1/+1
The current default RelWithDebInfo gives significantly slower builds so it should not be the default.
2023-03-17boost: add patch for 1.81.0 (#35964)Valentin Volkl2-0/+35
2023-03-17nwchem: add v7.2.0 (#36061)Edoardo Aprà1-3/+9
2023-03-17vtk-m: update to latest release (#35590)Vicente Bolea1-3/+3
* vtk-m: add v2.0.0 * Update var/spack/repos/builtin/packages/vtk-m/package.py --------- Co-authored-by: Kenneth Moreland <morelandkd@ornl.gov>
2023-03-17nccmp: add more constrain to dependencies, add configure args (#35539)Cameron Book1-1/+25
2023-03-17hipcub and rocprim: enable testing (#35660)afzpatel2-3/+5
2023-03-17openssh: 9.2, 9.3 (#36162)Harmen Stoppels1-0/+2
2023-03-17nano: add v7.2 (#36148)Alec Scott1-0/+2
2023-03-17Update the PyTorch ecosystem (#36132)Adam J. Stewart8-43/+171
* py-pytorch-lightning: add v2.0.0 * py-lightning-utilities: add v0.8.0 * Update all PyTorch packages * Open-CE does not yet have patches for PyTorch 2 on ppc64le
2023-03-17Fix `--test` behavior for gromacs package. (#35674)M. Eric Irrgang1-3/+47
For `spack install --test=all gromacs` * remove the `test` target from the `check()` call and just use the `check` target, in accordance with usual GROMACS test protocol * build the test binaries explicitly during the build phase Additional minor updates are necessary. This change updates the package structure to the newer format with a separate Builder class so we can override `check()`. However, note that additional modernization should be undertaken with care.
2023-03-17libx11: add v1.8.4 (#36075)Alec Scott1-0/+1
2023-03-17lmod: add 8.7.20 (#36177)Michael Kuhn1-0/+1
2023-03-16libpng package: build with CMake (#35105)John W. Parent1-16/+10
2023-03-16Fix for ESMF post_install on macOS (#36087)Matthew Thompson1-6/+10
2023-03-16Add explicit configure args to fix instrumentation-time paths (#36089)Bill Williams3-1/+6
2023-03-16[pmix] master branch uses git submodule config/oac (#36104)Stephen Sachs1-1/+2
* [pmix] master branch uses git submodule config/oac * Add comment for future versions
2023-03-16pmix, openmpi, and prrte need to use the same `configure` to find the same ↵Stephen Sachs2-0/+2
deps (#36105) * [openmpi] 5.0.0.rc10 onwards needs munge This is the error you will see when munge is missing from `PKG_CONFIG_PATH`: ``` configure:63942: checking for pmix pkg-config cflags configure:63956: check_package_pkgconfig_run_results=Package munge was not found in the pkg-config search path. Perhaps you should add the directory containing `munge.pc' to the PKG_CONFIG_PATH environment variable Package 'munge', required by 'pmix', not found configure:63959: $? = 1 configure:63966: pkg-config output: Package munge was not found in the pkg-config search path. Perhaps you should add the directory containing `munge.pc' to the PKG_CONFIG_PATH environment variable Package 'munge', required by 'pmix', not found configure:63972: result: error configure:63974: error: An error occurred retrieving pmix cppflags from pkg-config ``` * Use same PKG_CONFIG_PATH defaults for ompi+pmix+prrte The issue I tried to fix in https://github.com/spack/spack/pull/36105 comes from different default search paths in different `pkg-config` executables used in `openmpi` and `pmix` package. As these tools (`openmpi`, `pmix`, and `prrte`) all use the same mechanisms to detect dependencies, the `pkg-config` environment they use should also be equal.
2023-03-16libaio: Add version 0.3.113 (#36101)Rémi Lacroix1-0/+1
2023-03-16autodiff: new version 1.0.0 (#36121)Wouter Deconinck1-0/+1
No more https://0ver.org. No changes to build system since 0.6.12.
2023-03-16Ospray (#36128)Erik Heeren1-2/+5
* ospray: denoiser and GLM variants * ospray: denoiser defaults to True to preserve previous behaviour
2023-03-16openssl: New version 3.1.0 (#36166)Erik Schnetter1-0/+1
2023-03-16LAMMPS: add new versions (#35592)Richard Berger1-0/+9
* LAMMPS: add new stable version 20220623.3 * LAMMPS: add new patch version 20230208
2023-03-16meson: add 1.0.1 (#35987)Michael Kuhn1-0/+3
2023-03-16Modify info print of ESMF_CPP due to permission denied errors in spack on ↵Dom Heinzeller2-0/+15
MSU Hercules (#35969) * Skip info print of ESMF_CPP due to permission denied errors in spack on MSU Hercules * Better version of patch
2023-03-16Windows: target arch based on spec target arch (#35797)John W. Parent3-5/+3
Update packages to check Spec's target rather than the host platform.
2023-03-16Include rocm-openmp-extras header and omp library (#36142)renjithravindrankannath1-9/+21
2023-03-16add rdkit for gninavis and remove mpi (#36117)Rocco Meli1-2/+4
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