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2020-05-05Automatically find externals (#15158)Peter Scheibel3-0/+76
Add a `spack external find` command that tries to populate `packages.yaml` with external packages from the user's `$PATH`. This focuses on finding build dependencies. Currently, support has only been added for `cmake`. For a package to be discoverable with `spack external find`, it must define: * an `executables` class attribute containing a list of regular expressions that match executable names. * a `determine_spec_details(prefix, specs_in_prefix)` method Spack will call `determine_spec_details()` once for each prefix where executables are found, passing in the path to the prefix and the path to all found executables. The package is responsible for invoking the executables and figuring out what type of installation(s) are in the prefix, and returning one or more specs (each with version, variants or whatever else the user decides to include in the spec). The found specs and prefixes will be added to the user's `packages.yaml` file. Providing the `--not-buildable` option will mark all generated entries in `packages.yaml` as `buildable: False`
2020-05-05PyTorch: add patches to fix build (#16477)Adam J. Stewart2-3/+58
2020-05-05kokkos: add v3.1.01 (#16470)Christoph Junghans2-10/+7
* kokkos: add v3.1.01 * kokkos: fix up versions * kokkos-kernels: follow upstream versioning
2020-05-05cray platform: support cray Cluster and XC type machines (#12989)Greg Becker2-14/+66
Cray has two machine types. "XC" machines are the larger machines more common in HPC, but "Cluster" machines are also cropping up at some HPC sites. Cluster machines run a slightly different form of the CrayPE programming environment, and often come without default modules loaded. Cluster machines also run different versions of some software, and run a linux distro on the backend nodes instead of running Compute Node Linux (CNL). Below are the changes made to support "Cluster" machines in Spack. Some of these changes are semi-related general upkeep of the cray platform. * cray platform: detect properly after module purge * cray platform: support machines running OSs other than CNL Make Cray backend OS delegate to LinuxDistro when no cle_release file favor backend over frontend OS when name clashes * cray platform: target detection uses multiple strategies This commit improves the robustness of target detection on Cray by trying multiple strategies. The first one that produces results wins. If nothing is found only the generic family of the frontend host is used as a target. * cray-libsci: add package from NERSC * build_env: unload cray-libsci module when not explicitly needed cray-libsci is a package in Spack. The cray PrgEnv modules load it implicitly when we set up the compiler. We now unload it after setting up the compiler and only reload it when requested via external package. * util/module_cmd: more robust module parsing Cray modules have documentation inside the module that is visible to the `module show` command. Spack module parsing is now robust to documentation inside modules. * cce compiler: uses clang flags for versions >= 9.0 * build_env: push CRAY_LD_LIBRARY_PATH into everything Some Cray modules add paths to CRAY_LD_LIBRARY_PATH instead of LD_LIBRARY_PATH. This has performance benefits at load time, but leads to Spack builds not finding their dependencies from external modules. Spack now prepends CRAY_LD_LIBRARY_PATH to LD_LIBRARY_PATH before beginning the build. * mvapich2: setup cray compilers when on cray previously, mpich was the only mpi implementation to support cray systems (because it is the MPI on Cray XC systems). Cray cluster systems use mvapich2, which now supports cray compiler wrappers. * build_env: clean pkgconf from environment Cray modules silently add pkgconf to the user environment This can break builds that do not user pkgconf. Now we remove it frmo the environment and add it again if it is in the spec. * cray platform: cheat modules for rome/zen2 module on naples/zen node Cray modules for naples/zen architecture currently specify rome/zen2. For now, we detect this and return zen for modules named `craype-x86-rome`. * compiler: compiler default versions When detecting compiler default versions for target/compiler compatibility checks, Spack previously ran the compiler without setting up its environment. Now we setup a temporary environment to run the compiler with its modules to detect its version. * compilers/cce: improve logic to determine C/C++ std flags * tests: fix existing tests to play nicely with new cray support * tests: test new functionality Some new functionality can only be tested on a cray system. Add tests for what can be tested on a linux system. Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2020-05-05OpenBLAS: Fix LLVM 9.0.0 ICE on macOS (#16471)Axel Huebl2-0/+40
Recently added patch to port the LLVM 9.0.0 ICE with OpenBLAS and AVX-512 instructions as well to AppleClang (11.0.3).
2020-05-05minor (#16467)Sajid Ali1-1/+2
2020-05-05Make usage example consistent with current MV variants (#16468)Massimiliano Culpo2-2/+2
Since #9481 Python's None is not permitted as a value for MV variants. The string 'none' is used instead. Add the same fix for the amgx and lammps packages
2020-05-05CMake: Cray XC40 system errors bootstrapping CMake (#16459)Jennifer Green2-0/+16
* CMake: fix https://github.com/spack/spack/issues/16453 with a patch addressing both libhugetlbfs and icpc warnings on Cray XC40 systems * Including CMake v3.17.2 in the patched versions
2020-05-05cabana: add v0.3.0 & shared variant (#16466)Christoph Junghans1-1/+5
2020-05-05Add Axom spack package (#15432)Chris White5-37/+613
* Add OpenMP variant to Umpire * Initial implementation of Axom package * Add Axom spack package and fix required dependencies * Fix overzealous tag replacement * Attempt to fix version error * Fix python version attempt #2 * Update raja and umpire * remove sys_type check * Address comments in axom package * Address Greg's comments * Fix flake8 * more flake8 * Simplify MPIEXEC and MPIEXEC_NUMPROC_FLAG * Fix typo * Revert back to slurm check, fix cuda_arch checks * Fix cuda_arch variant forwarding * Add cub variant * Add py-shroud * Address comments * Fix shroud path in axom * Fix merge conflict * Fix backwards if * Fix flake8 and add copyright * format for consistency
2020-05-05exonerate-gff3: new package at 2.3.0 (#11830)Justin S1-0/+22
2020-05-05perl-bio-searchio-hmmer: new package at 1.7.3 (#16281)Justin S1-0/+18
* perl-bio-searchio-hmmer: new package at 1.7.3 * perl-bio-searchio-hmmer: add dependencies
2020-05-05WarpX: RZ + PSATD (#16464)Axel Huebl1-1/+3
Add additionally required dependencies to WarpX that are needed for transformations in RZ geometry with spectral (PSATD) solvers.
2020-05-05Boost: Add version 1.73.0 (#16442)Tim Haines1-1/+17
2020-05-05[dd4hep] fix python setup (#16461)vvolkl1-1/+1
2020-05-05cctools to 7.1.5 (#16450)Benjamin Tovar1-2/+3
* change homepage to readthedocs * update cctools version to 7.1.5 * change http to https
2020-05-05lammps: added v20200505 (#16463)Christoph Junghans1-0/+2
2020-05-04py-shapely: add master version (#16465)Adam J. Stewart1-2/+16
2020-05-04libspatialite: Update for proj@6 (#16173)Elizabeth Fischer1-2/+16
* libspatialite * flake8 * Added proper version constrain * Update var/spack/repos/builtin/packages/libspatialite/package.py Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/libspatialite/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-05-04libsecret (#16174)Elizabeth Fischer1-0/+2
* libsecret * Update package.py Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04bugfix: Update run-time dependencies of py-xenv (#16460)vvolkl1-1/+1
Otherwise, if I run `xenv` after `spack load py-xenv` it fails with: ``` Traceback (most recent call last): File "/home/vavolkl/spack/opt/spack/linux-centos7-broadwell/gcc-8.3.0/py-xenv-develop_2018-12-20-lqbxakapsepqo5w3sjhhokj5o7c5jei2/bin/xenv", line 6, in <module> from pkg_resources import load_entry_point ModuleNotFoundError: No module named 'pkg_resources' ```
2020-05-04[gaudi] fixes and patches (#16433)vvolkl6-19/+315
* [gaudi] fixes and patches * Update var/spack/repos/builtin/packages/gaudi/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/gaudi/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Apply suggestions from code review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * [gaudi] add older versions and fold +tests into +optional * [gaudi] set run environment Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-05-04ecFlow added UI & GUI flag with new version (#16444)Amjad Kotobi1-4/+10
* ecFlow added UI & GUI flag with new version * Fix1
2020-05-04py-palletable: Add new version (#16445)Elizabeth Fischer1-0/+1
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04py-cf-units: Add new version (#16446)Elizabeth Fischer1-0/+1
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04update isaac and issac-server to v1.5.0 (#16452)René Widera2-0/+2
Update package.py with the latest release [ISAAC v1.5.0].
2020-05-04pocl: add version 1.5 (#16455)Matthias Diener1-1/+3
* pocl: add version 1.5 * update clang version
2020-05-04hwloc: add version 2.2.0 (#16456)Matthias Diener1-0/+1
2020-05-04BOLT: add 1.0 (#16457)Shintaro Iwasaki1-5/+1
2020-05-04argobots: mark 1.0 as preferred (#16458)Shintaro Iwasaki1-1/+2
By default, Spack chooses 1.0rc2 instead of 1.0 though 1.0 is the stable and newer release. We manually mark the version 1.0 as preferred.
2020-05-04Updates to Python for macOS (#16449)Elizabeth Fischer1-1/+2
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04grass: new versions (#16181)Elizabeth Fischer1-1/+6
* grass * Update var/spack/repos/builtin/packages/grass/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-05-04LAPACKC++: added "shared" variant (#16419)Axel Huebl1-2/+10
We can control the shared/static build of CMake and the default in Spack is to build shared libraries. The old, uncontrolled default of this package is a static build.
2020-05-04singularity: added missing dependencies (#16430)Dr. Christian Tacke1-0/+3
See: https://sylabs.io/guides/3.5/user-guide/quick_start.html#install-system-dependencies for pkg-config and libseccomp
2020-05-03QE-to-QMCPACK wave function converter relocation + some bug fixes (#16422)Nichols A. Romero1-15/+74
* Revise description of patch variant. * Add qmcpack variant. Apply QE-to-QMCPACK wave function converter patch. * Clean-up, document, and re-organize. * ELPA patches did not nead when=`+patch` variant. * Need to be more precise here with QE version numbers. * satisfies seems to be necessary here in order to get correct behaviour. * Buglet with zlib link line. * Update var/spack/repos/builtin/packages/quantum-espresso/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/quantum-espresso/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Fix for QE-to-QMCPACK wave function converter w.r.t. QE 6.3. Also adjust comments to reflect changes in code. Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-05-03NumPy: add 1.18.4 (#16441)Adam J. Stewart1-1/+2
2020-05-03Add new HEP package: fastjet (#16439)vvolkl1-0/+49
* [fastjet] initial commit * [fastjet] remove beta versions
2020-05-03Add new HEP package: Delphes (#16440)vvolkl1-0/+63
* [delphes] initial commit * [delphes] formatting fixes
2020-05-02GEOS: add new version (#16437)Adam J. Stewart1-1/+2
2020-05-02py-shapely: new version, Python 3.7 fix (#16438)Adam J. Stewart1-2/+12
2020-05-02py-cartopy: update package, fix PROJ.6 support (#16436)Adam J. Stewart2-13/+145
2020-05-02colordiff: add version 1.0.19 (#16431)Matthias Diener1-0/+1
2020-05-02Add a gpfs variant to openmpi package (#15793)Jonathon Anderson1-0/+6
Open MPI will detect and link against GPFS if it is present on the system. This variant allows this to be disabled, even if GPFS is present.
2020-05-01add hydra/pmix conflict (#16428)Sajid Ali1-0/+1
2020-05-01py-opentuner: add version 0.8.2 (#16423)Matthias Diener1-3/+6
2020-05-01[ncbi-magicblast] added version 1.5.0 (#16424)Jen Herting1-0/+1
2020-05-01stata: add version 16 (#16425)Justin S1-3/+9
2020-05-01amrex: New version 20.05 (#16427)mic841-3/+12
2020-05-01Provide update for py-pyside2 version 5.14.2.1. (#16426)Kelly (KT) Thompson1-0/+1
2020-05-01tbl2asn: new package at 20200301 (#16280)Justin S1-0/+24
* tbl2asn: new package at 20200301 * tbl2asn: remove unused url * tbl2asn: use spack decompression, fix permissions * tbl2asn: change version