* cp2k: locate correct include dir when using intel-parallel-studio+mkl for fftw-api
* libxc: drop arch-specific intel opt. flags
fixes#17794
* libint: drop arch-specific intel opt. flags, always build Fortran example with FC
fixes#17509
* package/pmdk add variants, version 1.9
* add dependency
* Update var/spack/repos/builtin/packages/pmdk/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: sbulut <sbulut@3vgeomatics.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
GROMACS still requires a version of FFTW when compiling it to utilize
NVIDIA GPUs. In fact, the type of calculation that depends on FFTW --
Particle-Mesh Ewald (PME) -- is generally run on the host system's CPUs,
even when GPUs are available.
* New package: py-rise
* Fix URL and add description
* Update var/spack/repos/builtin/packages/py-rise/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* gaussian-src: initial commit to build from source
* do not install the source to ensure to not accidentally distribute
it to users
* set required runtime env vars based on the login.profile
* gaussian-view: update to 6.1.1
PR #19482 updated gcc to only apply the zstd patch until @10.2 but the
releases/gcc-10 branch actually does not contain the patch yet, that is,
gcc@10.3 will most likely have the same problem. Apply the patch for all
10.x releases instead.
* gemini dep -py-bcolz +
* Update var/spack/repos/builtin/packages/py-bcolz/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-bcolz/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-bcolz URL fix
* Update var/spack/repos/builtin/packages/py-bcolz/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [py-pyarrow] telling setup.py that we want cuda support
* [py-pyarrow] added orc variant
* [py-pyarrow] passing the orc variant down the line
* [py-pyarrow] added variant description
* ocl-icd: fix build problems
* New package: opencl-c-headers
* New package: opencl-clhpp
* New bundled package: opencl-headers
- bundle C and C++ header files
* ocl-icd: Add +headers variant to use this as opencl provider
* ocl-icd: add new upstream release 2.2.13
* ocl-icd: add asciidoc-py3 and xmlto dependency needed for manpage generation
* ocl-icd and opencl-headers provides OpenCL 3.0
- also add more explicit version providing for older ocl-icd versions
* opencl-headers: add maximum of supported opencl versions for all versions
* opencl-headers: there aren't final releases with OpenCL 3.0
* [orc] created template
* [orc] depends on maven
* [orc] building with -fPIC
* [orc] fixed name of c flags option
* [orc] depends on openssl
* [orc] added dependencies and disableing installing vendored libs
* [orc] disabling hdfs
* [orc] depending on specific versions of dependencies
* [orc] no building of third party libs
* [orc] helping cmake find the dependencies
* [orc] disabling features that would require static protobuf libraries
* [orc] dependency versions are ranges
* [orc] added homepage and description. removed fixmes
* [orc] flake8
* [orc] switching to compilier indipendent code
* r-sf: fix build error
* Update var/spack/repos/builtin/packages/r-sf/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* Add herwig3
* Prepare fixes based on MR (needs checking)
* Set all dependencies (except python) as build-type
* OK now
* Move import to the top of the file
* Fix dependency name
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* Add qgraf
* Update package.py
Changes from review
* Changes from MR
* Fix for URLs containing @ symbol
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* Update madgraph to 2.8.1
* Changes from MR
* Changes from MR
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
* Updated blaspp package
* Modified lapackpp for newest release
* Formatting
* Updates to lapackpp package for new version
* Added dependency on cblas
* Removed cblas dependency
* updated to lapackpp
* Added new version for blaspp and lapackpp
* Removed debugging output
* Converted version matching logic for for loop
* mpich: yaksa configure fix
modified: var/spack/repos/builtin/packages/mpich/package.py
* typo
* python is not needed when building from preconfigured tarballs
* add maintainers
* Added FFLAGS for apple-clang:11
* Added issue #
* Update var/spack/repos/builtin/packages/mpich/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* update version to avoid compile error
* Update var/spack/repos/builtin/packages/r-rgdal/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* Add FORM
* Update package.py
Changes from review
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* Fixes for thepeg
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
* mfem: specify PETSC_DIR, link correct sundials libraries
* fix: only use PETSC_DIR directly for static builds
* fix: only use sundials nvecmpiplusx for MFEM 4.2+
* Add recipe for qgraf
* Revert "Add recipe for qgraf"
This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd.
* LHAPDF should extend Python to get env variables correct
Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
* Adding AOCC compiler to SPACK community
The AOCC compiler system offers a high level of advanced optimizations, multi-threading and processor support that includes global optimization, vectorization, inter-procedural analyses, loop transformations, and code generation. AMD also provides highly optimized libraries, which extract the optimal performance from each x86 processor core when utilized. The AOCC Compiler Suite simplifies and accelerates development and tuning for x86 applications.
* Added unit tests for detection and flags for AOCC
* Addressed reviewers comments w.r.t version checks and url,checksum related line lengths
Co-authored-by: Test User <spack@example.com>
* add updated version of py-dnaio
* Add py-setuptools-scm build dependency
* Fine tune the py-xopen dependency constraint
The needed version of xopen does not become specific until v0.4 of
dnaio.
* Set constraint on py-setuptools-scm
The py-setuptools-scm dependency is needed beginning with v0.4.
* updated version of py-cutadapt
* Update dependency specs
* Add py-setuptools-scm build dependency
* More constraint fixes
* Fix version range for py-xopen
