* 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>
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'
```
* [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>
* 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>
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.
* 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>
mfem variant hypre is now rolled into variant mpi - so update spec accordingly
mfem@4.0.1-xsdk+superlu-dist is broken and unsupported - so disable it
with the addition of py-petsc4py@3.13.0 - conretizer gets confused and is not picking py-petsc4py@3.12.0 as a compatible dependency with petsc@3.12. So manually specify it.
Also depends_on('py-libensemble@0.5.2+petsc4py ^py-petsc4py@3.12.0' causes concretizer to hang forever
* Add more checksummed versions
* Remove all versions not supported by autotools build method
* Add old build system for older versions
* Add suggested changes
* add amgx package
* add amgx variants for mkl and magma support
* fix typo in cmake option
* flake8 fix formatting
* Apply suggestions from code review - use mkl virtual provider
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Apply suggestions from code review - fix copypasta
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add additional variants to netcdf-fortran
* Fix duplicate variant
* Clean up variants based on review feedback
* Addtional variant changes
* Convert jna variant to single line
* Fix proper version constraints for jna variant
* cp2k: prettify arch-file, call pkg-config directly
this allows to re-use the arch-file without having to load the complete
Spack environment, for example after a dev-build
* cp2k: use consistency check instead of blas lib enum
this makes using other BLAS/LAPACK implementations possible without
explicitly adding support for them
* cp2k: add basic support for Cray and XL Compilers, correct Intel fp mode
* cp2k: add myself as maintainer
* cp2k: use "master" to denote the git version
* cp2k: use spack_cc/fc/cxx when possible, set CXX explicitly
* cp2k: set __MKL when using the MKL, not just the Intel compiler
* cp2k: drop self. when referencing spec where possible
* cp2k: add forgotten elpa+openmp dep
* cp2k: set C++14 for recent versions
* Add new version: "Abseil LTS branch, Feb 2020, Patch 1"
* Build shared libraries by default with new version
* Older versions do not support building shared libraries
