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2020-06-30[py-mdanalysis] new version and added dependencies (#16819)Jen Herting1-10/+36
* [py-mdanalysis] new version and added dependencies Original commit message: Author: Andrew Elble <aweits@rit.edu> Date: Thu Nov 14 08:35:14 2019 -0500 mdanalysis * [py-mdanalysis] python is type build/run * [py-mdanalysis] updated numpy version requirement for all listed versions of py-mdanalysis * [py-mdanalysis] updated biopython version requirement for all listed versions of py-mdanalysis * [py-mdanalysis] updated py-griddataformats version requirement for all listed versions of py-mdanalysis * [py-mdanalysis] gsd only required after version 1.17.0 and requires gsd@1.4.0 * [py-mdanalysis] only requires mmtf-python after version 0.16.0 and requires version 1.0.0 * [py-mdanalysis] has required py-joblib since version 0.16 * [py-mdanalysis] updated py-scipy version requirement for all listed versions of py-mdanalysis * [py-mdanalysis] updated py-matplotlib version requirement for all listed versions of py-mdanalysis * [py-mdanalysis] has required py-mock since version 0.18.0 * [py-mdanalysis] py-scikit-learn only required after version 0.16.0 and only for +analysis variant * [py-mdanalysis] Reordered and reformatted for readability * [py-mdanalysis] flake8 fixes * [py-mdanalysis] proactively adding version 1.0.0 while I'm here since major release * [py-mdanalysis] fixing some forgotten colons
2020-06-30[py-crossmap] added version 0.3.9 (#17233)Jen Herting1-2/+2
* [py-crossmap] added version 0.3.9 * [py-crossmap] py-numpy not required * [py-crossmap] py-cython must be >= 0.17
2020-06-30[ruby] fixing path to gcc such that users can use gem to install nati… ↵Jen Herting1-0/+11
(#17141) * [ruby] fixing path to gcc such that users can use gem to install native gems to their home directory * [ruby] working on making flake8 happier * [ruby] Line can't really be split cleanly. Enhancing flake8's calm. ya learn something new every day... * [ruby] line break where requested * [ruby] make raw string * [ruby] only running for x86_64-linux everything else is untested * [ruby] finding rbconfig.rb in a cross platform manner
2020-06-30New package/graphblast (#17289)Sinan1-0/+42
* new package: GraphBlast * polish * add cuda_arch setup * flake8 * the package requires cuda variant and dependency * add comments * define cuda_arch * implement multiple and custom cuda arches * tidy up, improve * flake8 * improve style * add variant description * use patch method, add new version for latest commit building since master now fails * remove gcc conflict, tidy up * also indicate build range for boost Co-authored-by: Sinan81 <sbulut@3vgeomatics.com> Co-authored-by: Sinan81 <Sinan81@github>
2020-06-30dssp: new package at v3.1.4 (#17188)Harsh Bhatia2-5/+42
Renamed xspp to hspp
2020-06-30postgis: added package at v3.0.1 (#12635)Sinan1-0/+81
Co-authored-by: Sinan81 <sbulut@3vgeomatics.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Sinan81 <Sinan81@github>
2020-06-29py-mpi4py: Implement headers Property (#17295)Sebastian Gottfried1-0/+5
py-mpi4py installs its header files at a difficult-to-predict location: $prefix/lib/python-x.y/site-packages/mpi4py/include With the new `headers` properties, dependent packages have now an easy way to obtain this location: spec['py-mpi4py'].headers.directories[0]
2020-06-29New package: hepmcanalysis (#17296)iarspider2-0/+105
* [WIP] Add hepmcanalysis package * Implement install() for hepmcanalysis * Flake-8 Co-authored-by: iarspider <iarpsider@gmail.com>
2020-06-29R: new versions (#17297)Amjad Kotobi1-0/+2
2020-06-29GDAL: add v3.1.1 (#17302)Adam J. Stewart1-1/+2
2020-06-29Some files could not be created due to errors, which have been fixed. (#17250)h-denpo6-20/+368
added support for Fujitsu compiler.
2020-06-29cp2k: variant tuning `lmax` was broken (#17266)Fabien Bruneval1-1/+1
* cp2k: variant tuning `lmax` was broken - `spack install cp2k lmax=6` now works * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/cp2k/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-06-29New package py-networkit (6.1, 7.0) (#17195)Fabian Brandt1-0/+42
2020-06-29New package: coin3d (#17251)iarspider1-0/+51
* New package: coin3d * Update package.py * Flake-8 * Update var/spack/repos/builtin/packages/coin3d/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Add link-time dependencies * Add configure flags for boost; remove version 4.0.0 (doesn't compile) Co-authored-by: iarspider <iarpsider@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-06-29cray compilers: fix bug with verifying cray compilers (#17303)Greg Becker1-5/+15
* fix bug with verifying cray compilers
2020-06-29remove three commands that have been deprecated since v0.13.0 (#17291)Greg Becker4-178/+1
* remove three commands that have been deprecated since v0.13.0
2020-06-29autotools: Fix config.guess detection (#17149)Michael Kuhn1-2/+4
The config.guess detection used a relative path that did not work in combination with `check_call`. Use an absolute path instead.
2020-06-29Detect FE compilers automatically on Cray (#17267)Massimiliano Culpo2-2/+85
* cray: detect frontend compilers automatically This commit permits to detect frontend compilers automatically, with the exception of cce. Co-authored-by: Gregory Becker <becker33.llnl.gov>
2020-06-29nfs-utils: fix compile error on debian (#17292)darmac1-0/+1
use pkgconfig to detect libtirpc
2020-06-29New package: fjcontrib + new variants for fastjet (#17255)iarspider2-0/+95
* New package: fjcontrib + new variants for fastjet * Flake-8 * Flake-8 once more * Update package.py * Allow choosing which plugins to build Build all plugins by default. * Flake-8 * Always build all plugins * Update package.py Co-authored-by: iarspider <iarpsider@gmail.com>
2020-06-29Fix indentation in containerize example (#17228)George Hartzell1-1/+1
[george.hartzell@172-16-193-97 spack-explore-docker]$ spack containerize Running `spack containerize` with the example `spack.yaml` file fails with an error that ends like so: ``` [...] File "/local_scratch/hartzell/tmp/spack-explore-docker/lib/spack/external/ruamel/yaml/scanner.py", line 165, in need_more_tokens self.stale_possible_simple_keys() File "/local_scratch/hartzell/tmp/spack-explore-docker/lib/spack/external/ruamel/yaml/scanner.py", line 309, in stale_possible_simple_keys "could not find expected ':'", self.get_mark()) ruamel.yaml.scanner.ScannerError: while scanning a simple key in "/local_scratch/hartzell/tmp/spack-explore-docker/spack.yaml", line 26, column 1 could not find expected ':' in "/local_scratch/hartzell/tmp/spack-explore-docker/spack.yaml", line 28, column 5 ``` Indenting the block string fixes the problem for me. CentOS 7, ``` $ spack --version 0.14.2-1529-ec58f28c2 ```
2020-06-29codar-cheetah: added v1.1.0 and v1.0.0 (#17286)Kshitij Mehta1-1/+3
2020-06-29geant4: depends on "qt@5: +opengl" when +qt (#17264)Wouter Deconinck1-1/+1
The Geant4 cmake check requires Qt5OpenGL_FOUND, so we must require the Qt5 +opengl variant. If not, the cmake phase fall through to Qt4 and fails due to a missing Qt4::QtGui target. In Geant4InterfaceOptions.cmake: ``` if(Qt5Core_FOUND AND Qt5Gui_FOUND AND Qt5Widgets_FOUND AND Qt5OpenGL_FOUND AND Qt5PrintSupport_FOUND) ``` Ref: https://github.com/Geant4/geant4/blob/master/cmake/Modules/Geant4InterfaceOptions.cmake#L90 (5baee230e93612916bcea11ebf822756cfa7282c, Import Geant4 10.6.0 source tree)
2020-06-29fujitsu-mpi: added "headers" and "libs" methods (#17253)Tomoki, Karatsu1-0/+19
2020-06-29Restore compilers.yaml default directory (#17283)Greg Becker1-2/+2
2020-06-28Prevent libffi 3.3 from adding contradictory tuning flags (#17285)Seth R. Johnson1-0/+8
Fixes #17187
2020-06-28package/qgis: add new versions (#17284)Sinan1-1/+7
Co-authored-by: Sinan81 <sbulut@3vgeomatics.com>
2020-06-28intel: added new versions (#17287)Amjad Kotobi1-0/+2
2020-06-28vmc: New Package (#17282)Dr. Christian Tacke2-0/+79
"""The Virtual Monte Carlo (VMC) library"""
2020-06-28redis: add config file from source code (#17225)darmac1-0/+5
* redis: add config file from source code * Update var/spack/repos/builtin/packages/redis/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-06-28WarpX: Development Branch (#17163)Axel Huebl1-2/+2
* WarpX: Development Branch Update the name of our development branch. * WarpX version: develop keyword development is not a "newest"-like keyword, but `master`/`develop`/`dev` are. Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Renamed: develop version Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-06-27make gcc build on aarch64 (#17280)Greg Becker1-6/+8
2020-06-27CUDA: CUDAHOSTCXX Env (#16869)Axel Huebl1-0/+2
This is a general CMake CUDA language hint to use the CXX compiler has host compiler for NVCC. Seems like a good default since we do not express the CUDA compiler in Spack otherwise yet (e.g. no `self.compiler.cuda` or `self.compiler.cudahostcxx`).
2020-06-27Add support for macOS Big Sur (#17236)Adam J. Stewart1-0/+1
* Add support for macOS Big Sur * Big Sur is actually macOS 11.0
2020-06-27perl-date-manip: New Package Date::Manip (#17259)Dr. Christian Tacke1-0/+22
2020-06-27[gaudi] new version, cleanup (#17268)vvolkl1-14/+6
2020-06-27Patch needed also for version 7.0 (#17269)Fabian Brandt1-1/+1
2020-06-27LIBXSMM 1.16.1 (#17274)Hans Pabst1-1/+2
2020-06-27migrate to git and update commit (#17276)albestro1-2/+2
2020-06-27superlu-mt: add pic and int64 variants (#11361)David Gardner1-2/+20
* add pic and int64 variants * update to Language-specific PIC flags
2020-06-26env: no automatic activation (#17258)Greg Becker4-19/+10
* env: no automatic activation * Ensure ci rebuild jobs activate the environment (no longer automagic) Co-authored-by: Scott Wittenburg <scott.wittenburg@kitware.com>
2020-06-26Use json for buildcache index (#15002)Scott Wittenburg13-325/+443
* Start moving toward a json buildcache index * Add spec and database index schemas * Add a schema for buildcache spec.yaml files * Provide a mode for database class to generate buildcache index * Update db and ci tests to validate object w/ new schema * Remove unused temporary upload-s3 command * Use database class to generate buildcache index * Do not generate index with each buildcache creation * Make buildcache index mode into a couple of constructor args to Database class * Use keyword args for _createtarball * Parse new json index when we get specs from buildcache Now that only one index file per mirror needs to be fetched in order to have all the concrete specs for binaries available on the mirror, we can just fetch and refresh the cached specs every time instead of needing to use the '-f' flag to force re-reading.
2020-06-26build_environment: verify compiler executables exist are are accessible (#17260)Greg Becker4-20/+77
* build_environment: verify compiler executables exist and are accessible * fix existing tests * test compiler executable verification
2020-06-26fix sorting issue with ci workarounds (#17277)Omar Padron2-30/+38
2020-06-26First fix for SPACK_DEPENDENCIES problem when doing setup (#10715)cedricchevalier191-9/+2
* First fix for SPACK_DEPENDENCIES problem when doing setup * Get rid of transitive include path in setup. * Export SPACK_INCLUDE_DIRS into spconfig.py
2020-06-26Fix super invocation in Intel packages (#17248)Adam J. Stewart2-2/+2
2020-06-26spack ci generate: allow use of --output-file <file> with wo/ preceding path ↵eugeneswalker1-4/+4
(#17275)
2020-06-26add environment-awareness to `buildcache create` (#16580)Jeffrey Salmond2-2/+57
* add buildcache create test * add functionality and test to create buildcache from environment * use env.concretized_user_specs rather than env.roots to get concretized specs, as suggested in review from becker33
2020-06-26Allow `spack remove -f` and `spack uninstall` to work on matrices (#17222)Greg Becker2-10/+55
* Allow `spack remove -f` and `spack uninstall` to work on matrices Allow Environment.remove(force=True) to remove the concrete spec from the environment even when the user spec cannot be removed because it is in a matrix.
2020-06-25Allow detection for "-classic" version of CCE (#17256)Massimiliano Culpo3-6/+21
* cce: detect modules based on the classic backend * cce: tweaked version checks for clang based options * Added unit test for cce flags
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