* [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
* [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
* 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>
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]
* 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>
* 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>
* 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>
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)
* 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>
* 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>
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`).
* Ascent: ~python default
Packages that build optional python bindings do not build them by default in Spack:
https://spack.readthedocs.io/en/latest/packaging_guide.html#variant-names
This reduces long dependency trees and build times, e.g. for apps just using C/C++/Fortran bindings of a library.
* Conduit: ~python default
Packages that build optional python bindings do not build them by
default in Spack:
https://spack.readthedocs.io/en/latest/packaging_guide.html#variant-names
This reduces long dependency trees and build times, e.g. for apps
just using C/C++/Fortran bindings of a library.
This is in principle supported already, but requires a patch to avoid build errors.
Closes#15302
Co-authored-by: Michael Kuhn <michael.kuhn@informatik.uni-hamburg.de>
* Separate Apple Clang from LLVM Clang
Apple Clang is a compiler of its own. All places
referring to "-apple" suffix have been updated.
* Hack to use a dash in 'apple-clang'
To be able to use autodoc from Sphinx we need
a valid Python name for the module that contains
Apple's Clang code.
* Updated packages to account for the existence of apple-clang
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Added unit test for XCode related functions
Co-authored-by: Gregory Becker <becker33@llnl.gov>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
The rose library uses the `strtoflt128` and `quadmath_snprintf`
functions. In order to successfully link the rose library, chill must
also link the GCC libquadmath library to resolve the two functions. This
patch changes the chill build to include this library.
Chill will also not compile unless headers from the gmp and isl
libraries are found in the includes path. Two patches - one each for gmp
and isl - modify the chill build process to add options to specify those
paths. These options follow the similar pattern as seen with BOOSTHOME
and ROSEHOME options which already exist in the chill build process.
Because of the addition of GMPHOME and ISLHOME options, build
requirements for gmp and isl are also added.
