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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
2020-05-01mt-metis: New package. (#16380)Toyohisa Kameyama2-0/+51
* mt-metis: New package. * variant to 1 line. * delete useless lines.
2020-05-01raja: add awareness of the cuda architecture (#16377)Matt Larsen1-1/+6
2020-05-01arborx: fix build with new kokkos-legacy (#16413)Jean-Laurent Picard1-1/+1
2020-04-30gromacs: add v2020.2 (#16408)Christoph Junghans1-0/+1
2020-04-30amrex: repo went through history rewrite - so use updates sha256sums (#16379)Satish Balay1-9/+9
2020-04-30sqlite: Add 3.31.1 (#16404)Michael Kuhn1-1/+4
2020-04-30readline: Fix homepage (#16403)Michael Kuhn1-1/+1
2020-04-30gettext: Add 0.20.2 (#16402)Michael Kuhn1-1/+2
2020-04-30glib: Add 2.64.2 (#16401)Michael Kuhn1-0/+1
2020-04-30libffi: Add 3.3 (#16400)Michael Kuhn1-0/+1
2020-04-30perl: Add 5.30.2 (#16396)Michael Kuhn1-1/+2