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2021-12-24vasp: add support for aocc (#27950)AMD Toolchain Support1-10/+60
Co-authored-by: mohan babu <mohbabul@amd.com>
2021-12-23npb package: add version 3.4.1 (#28122)kjrstory1-7/+15
* The Class F problem has been added to seven of the benchmarks (BT, SP, LU, CG, MG, FT, and EP). * The Class E problem has been added to the IS benchmark. * In version 3.4.1, 'the number of processes' option does not apply. * MPIFC and FC flags were added.
2021-12-23r-htmltools: fix version 0.5.2 (#28124)Glenn Johnson2-1/+2
The lastest version of r-htmltools needs version 1.1.0 of r-fastmap. This is not specified in the DESCRIPTION file.
2021-12-23New package: py-fastcore (#28148)Jen Herting1-0/+29
* [py-fastcore] created template * [py-fastcore] - added dependencies - added homepage - added description - removed fixmes * [py-fastcore] depends on setuptools
2021-12-23HDF5 package: change 1.10.8/1.13.0 CMake Path (#28103)Axel Huebl1-0/+5
These versions change the install location of CMake files used by dependents, but most dependents don't seem to look in this new location. Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com> Co-authored-by: Chris White <white238@llnl.gov>
2021-12-23amber package: add ambertools21 for @20 (#28064)Jen Herting1-4/+11
* [amber] added 3 more patches for amber20 * [amber] updated dependencies for @20 (cuda, parallel-netcdf)
2021-12-23py-pymol: update package, new version 2.5.0 (#28044)Andrew W Elble2-22/+50
* py-pymol: update package, new version 2.5.0 * ensure legacy plugins still load/work
2021-12-23simgrid package: add versions 3.28 and 3.29 (#28118)Vinícius1-0/+4
2021-12-22acts: add v15.1 and record incompatibility (#27942)Hadrien G1-1/+3
Co-authored-by: Wouter Deconinck <wdconinc@gmail.com>
2021-12-22votca-*: merge packages into one (#28073)Christoph Junghans7-72/+129
* votca-*: merge packages into one * Update package.py * votca-*: make old version as deprecated * votca-*: mark stable deprecated as well
2021-12-22New package: py-qpth (#28047)Jen Herting1-0/+21
Co-authored-by: Doug Heckman <dahdco@rit.edu>
2021-12-22New package: tree-sitter (#28110)albestro1-0/+23
2021-12-22llvm: Fix the llvm versions for using the MicrosoftDemange patch (#28140)Bernhard Kaindl1-2/+2
2021-12-21New package: microsocks (#27859)Pat Riehecky1-0/+31
2021-12-21openfoam package: add v2112 release and latest patched v2106 (#28108)Mark Olesen1-2/+3
Also remove x86_64-only handling for Darwin
2021-12-21perl: fix macOS build (#26290)Seth R. Johnson1-1/+15
* perl: fix macOS build With both 5.34.0 and 5.32.1 the build fails on macos-bigsur-skylake %clang@12.0.5 and %clang13.0.0 : ``` 2 errors found in build log: 579013 /private/var/folders/fy/x2xtwh1n7fn0_0q2kk29xkv9vvmbqb/T/s3j/spack-stage/spack-stage-perl-5.34.0-tpha2u52qfwaraidpzzbf6u4dbqg7dk5/spack-src/cpan/ Math-BigInt-FastCalc/../../miniperl "-I../../lib" -MExtUtils::Command::MM -e 'cp_nonempty' -- FastCalc.bs ../../lib/auto/Math/BigInt/FastCalc/Fas tCalc.bs 644 579014 579015 Everything is up to date. Type '/Applications/Xcode.app/Contents/Developer/usr/bin/make test' to run test suite. 579016 DYLD_LIBRARY_PATH=/private/var/folders/fy/x2xtwh1n7fn0_0q2kk29xkv9vvmbqb/T/s3j/spack-stage/spack-stage-perl-5.34.0-tpha2u52qfwaraidpzzbf6u4dbqg7d k5/spack-src ./perl -Ilib -I. installperl --destdir= 579017 WARNING: You've never run 'make test' or some tests failed! (Installing anyway.) 579018 /rnsdhpc/code/spack/opt/spack/apple-clang/perl/tpha2u5/bin/perl5.34.0 >> 579019 install_name_tool: error: sh -c '/Applications/Xcode.app/Contents/Developer/usr/bin/xcodebuild -sdk /Applications/Xcode.app/Contents/Developer/Pl atforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk -find install_name_tool 2> /dev/null' failed with exit code 256: (null) (errno=Invalid argument ) 579020 xcode-select: Failed to locate 'install_name_tool', requesting installation of command line developer tools. 579021 Cannot update /rnsdhpc/code/spack/opt/spack/apple-clang/perl/tpha2u5/bin/perl5.34.0 dependency paths >> 579022 make: *** [install-all] Error 72 ``` This is due to SYSTEM_VERSION_COMPAT being set. * perl: conditionally set SYSTEM_VERSION_COMPAT based on CLT The version of command line tools is the only difference between @alalazo and my builds: his (v11) works only when SYSTEM_VERSION_COMPAT is set to 1, and mine (v12.5 and v13) only work when it is unset.
2021-12-21structure: fixing build errors with gcc10+ removing unused dep (#28097)snehring1-2/+4
2021-12-21New package: py-onnxmltools and dependencies (#28023)iarspider8-4/+395
* New package: py-onnxmltools and dependencies * Small fix * Changes from review * Apply suggestions from code review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update recipe following review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2021-12-21soapdenovo2: fixing compiler errors in gcc10+ (#28098)snehring1-0/+8
2021-12-21py-build: add virtualenv variant (#28099)Adam J. Stewart1-0/+3
2021-12-21pcma: fixing compilation issues with gcc10+ (#28101)snehring1-0/+4
2021-12-21axom: add v0.6.1, fixed e4s builds (#28067)Chris White2-6/+64
2021-12-20openCARP packages: add version 8.2 (#28087)Marie Houillon3-2/+5
Co-authored-by: openCARP consortium <info@opencarp.org>
2021-12-20CDO package: add version 2.0.2 (#28086)Brian Spilner1-1/+2
Also fix URL for version 2.0.1 (sha256 is not changed)
2021-12-20New package: py-ctgan (#28050)Jen Herting1-0/+29
Co-authored-by: Sid Pendelberry <sid@rit.edu>
2021-12-20harfbuzz package: add version 2.9.1 (#27927)Valentin Volkl1-1/+2
2021-12-20New package: py-liac-arff (#28046)Jen Herting1-0/+20
2021-12-20New package: py-rdt (#28048)Jen Herting1-0/+25
Co-authored-by: Sid Pendelberry <sid@rit.edu>
2021-12-20New package: py-faker (#28049)Jen Herting1-0/+25
Co-authored-by: Sid Pendelberry <sid@rit.edu>
2021-12-20aws-parallelcluster: add v2.11.4 (#28094)Enrico Usai1-2/+3
Also remove tilne from admins.
2021-12-20add sha256 sum (#28095)Anton Kozhevnikov1-0/+1
2021-12-20Intel oneAPI packages: add 2022.1.1 release (#28096)Robert Cohn14-0/+62
Co-authored-by: Egorov, Andrey <andrey.egorov@intel.com>
2021-12-20py-torchgeo: add v0.1.1 (#28082)Adam J. Stewart1-8/+6
2021-12-20nsimd: Declare missing py-chardet dependency (#28030)Erik Schnetter1-0/+1
Found by @stevenrbrandt.
2021-12-20py-nbconvert: add v6.3.0 (#28075)Adam J. Stewart1-0/+1
2021-12-20assimp: add v5.1.4 (#28079)Wouter Deconinck1-0/+3
2021-12-20py-kornia: add v0.6.2 (#28080)Adam J. Stewart1-0/+1
2021-12-20py-numpy: add v1.21.5 (#28081)Adam J. Stewart1-4/+5
2021-12-19cmake: new versions 3.22.x (#28077)Seth R. Johnson1-0/+2
2021-12-19geant4: new version 11.0.0 (preferred remains 10.7.3) (#27931)Wouter Deconinck7-4/+49
* [geant4] new version 11.0.0 * [geant4] prefer 10.7.3 for now * [vecgeom] new version 1.1.18 * [clhep] new version 2.4.5.1 * [g4emlow] new version 8.0 * [g4particlexs] new version 4.p * [geant4-data] new version 11.0.0 * [geant4] @11.0.0: cxxstd=17: ^clhep@2.4.5.1: ^vecgeom@1.1.18: * [geant4] depends_on cmake@3.16: * [geant4-data] remove g4tendl comment * [g4tendl] new version 1.4 * [geant4] default cxxstd=11 when @10, 17 when @11; use CMAKE_CXX_STANDARD * [geant4] variant tbb whe @11:, depends_on tbb, sets GEANT4_USE_TBB * [geant4] new variant vtk when @11:, depends_on vtk@8.2: * [geant4] simplify GEANT4_USE_VTK with define_from_variant * [geant4] remove variant cxxstd conditional again * [geant4] flake8 space after comma
2021-12-19Python: default to 3.9 (#27997)Adam J. Stewart5-7/+45
Both [Anaconda](https://www.anaconda.com/products/individual) and [Homebrew](https://formulae.brew.sh/formula/python@3.9) now default to Python 3.9, so Spack should follow suit. I also added Python 3.10 while I was at it. Confirmed that it builds successfully on macOS 10.15.7 with Apple Clang 12.0.0. I'm unable to test the Cray and Fujitsu patches. Fixes #27921
2021-12-18py-vermin: add latest version 1.3.2 (#28072)Morten Kristensen3-3/+4
* py-vermin: add latest version 1.3.2 * [vermin] Fixed usages of super() without arguments (v3+)
2021-12-18skip googletest and googlebenchmark for header only library (#28068)Stephen McDowell1-19/+2
2021-12-17HDF5 package: add version 1.13.0 (#28010)Larry Knox1-0/+1
2021-12-17What's new in AOCL 3.1 (#27988)AMD Toolchain Support7-53/+259
* What's new in AOCL 3.1 1) AMD BLIS: 1.a) Supports Dynamic Dispatch and AOCL Dynamic feature 1.b) Improvements in DGEMM, ZGEMM, DTRSM, DSYRK, xGEMV, and DOTV 2) AMD libFLAME: 2.a) Supports LAPACK 3.10.0 specification 2.b) Optimized factorization and ZGEEV routines 3) AMD FFTW: 3.a) Features like 'AMD application optimization layer', 'Fast MPI transpose algorithm' and 'Top N planner' are added 4) AMD LibM: 4.a) Optimized exp2, log2 (Single and Double precision) scalar and vector 4.b) Optimized log10f (scalar and vector) and powf vector variants to support WRF4.1.2 benchmark 5) AOCL-Sparse: 5.a) New API for sparse matrix and dense matrix multiplication 6) AMD ScaLAPACK: 6.a) ILP64 support has been enabled 7) AOCL enabled MUMPS library: 7.a) CMake based build system on Windows for AOCL enabled MUMPS sparse solver library will be available shortly on GitHub 7.a.i) Refer https://github.com/amd/mumps-build 7.b) Spack-based recipe on Linux for AOCL enabled MUMPS sparse solver library will be enabled shortly * Fix invalid version range error * Incorporated review comments 1) Restore to previous url value 2) Instead of if else statements, used spack's enable_or_disable feature * Incorporated following review comments: 1. Use of satisfies() for spec checks 2. Seperate conflict statements to check for minimum and maximum GCC versions 3. Used CMakePackage helpers 4. Code rearrangement to have the directives listed before methods
2021-12-17sherpa: add new package (#27592)Valentin Volkl1-0/+129
Co-authored-by: Wouter Deconinck <wdconinc@gmail.com>
2021-12-17FFTW3 library inclusion (#27936)AMD Toolchain Support1-1/+17
Co-authored-by: mohan babu <mohbabul@amd.com>
2021-12-17New package: py-xrootdpyfs (#28058)iarspider2-0/+21
* New package: py-xrootdpyfs * Add old version of py-fs * Replace 2to3.patch with running 2to3 * Just restriuct setuptools version * Update var/spack/repos/builtin/packages/py-fs/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2021-12-17gpi-2: add version 1.3.3 (#27881)Max Zeyen1-8/+9
2021-12-17dolfinx: add ADIOS2 variant (#27540)Adeeb Arif Kor1-0/+4
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