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2020-10-23Fix GROMACS to require FFTW when using cuda (#19505)Marty Kandes1-1/+1
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.
2020-10-23New package: py-rise (#19496)iarspider1-0/+19
* 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>
2020-10-23let intel-parallel-studio provide fftw-api for +mkl (#19497)Tiziano Müller1-0/+4
2020-10-23CMake fix: narrow versions that the PGI patch is applied to (#19495)Scott McMillan1-1/+1
Co-authored-by: Scott McMillan <smcmillan@nvidia.com>
2020-10-23New package: py-gsi (#19494)iarspider1-0/+19
* New package: py-gsi * Add dependency on py-setuptools
2020-10-23Update asciidoc-py3 and fix build problem (#19491)lorddavidiii1-0/+3
* asciidoc-py3: add new version 9.0.3 * asciidoc-py3: fix build - add libxml2 and libxslt as dependency
2020-10-23modified:var/spack/repos/builtin/packages/ppopen-appl-fem/package.py (#19489)daichi-nishi1-2/+3
2020-10-23modified:var/spack/repos/builtin/packages/ppopen-appl-fdm/package.py (#19488)daichi-nishi1-3/+2
2020-10-23gaussian-src: initial commit, gaussian-view: update to 6.1.1 (#17711)Tiziano Müller7-8/+1237
* 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
2020-10-23gcc: Fix zstd patch version range (#19490)Michael Kuhn1-1/+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.
2020-10-23Add new package: acpica-tools (#18739)darmac1-0/+22
* Add new package: acpica-tools * refine build dependencies
2020-10-23gcc: fix build of gcc@master by limiting the version range of a patch (#19482)Thomas Green1-1/+1
Co-authored-by: Thomas Green <ca-tgreen@gw4a64fxlogin00.head.gw4.metoffice.gov.uk>
2020-10-23graphviz: add patch for XCode 12 (#19485)Todd Gamblin2-0/+26
- [x] Add a patch to fix an implicit declaration error with apple-clang 12
2020-10-23openipmi: added new package at v2.0.28 (#18790)darmac1-0/+30
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-10-22modified:var/spack/repos/builtin/packages/ppopen-appl-fvm/package.py (#19487)daichi-nishi1-3/+5
2020-10-22Bcolz (#19331)manifest1-0/+27
* 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>
2020-10-22Syscalc hash (#19323)iarspider1-2/+3
* Update syscalc hash * Tiny fix * Change URL and update hash as advised by the devs Co-authored-by: iarspider <iarpsider@gmail.com>
2020-10-22New package: py-dominate (#19483)Jen Herting1-0/+24
* [py-dominate] created template * [py-dominate] added dependencies * [py-dominate] added homepage and description. removed fixmes * [py-dominate] fixed url format
2020-10-22Enable packages to use the NVIDIA HPC SDK (#19452)Scott McMillan85-18/+1824
* Enable packages to use the NVIDIA HPC SDK * fix linter and review items * fix linter issue Co-authored-by: Scott McMillan <smcmillan@nvidia.com>
2020-10-22New package: py-torchfile (#19481)Jen Herting1-0/+22
* [py-torchfile] created template * [py-torchfile] set python versions * [py-torchfile] depends on py-numpy * [py-torchfile] fixed url format * [py-torchfile] added homepage and description. removed fixmes * [py-torchfile] fixed url format
2020-10-22[py-pyarrow] cuda and orc support (#19445)Jen Herting1-0/+6
* [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
2020-10-22Arrow: add orc support (#19442)Jen Herting1-0/+17
* [arrow] added orc support variant * [arrow] depends on orc * [arrow] added explicit disable of features for variants
2020-10-22modified:var/spack/repos/builtin/packages/ppopen-appl-amr-fdm/package.py ↵daichi-nishi1-4/+5
(#19459)
2020-10-22modified : var/spack/repos/builtin/packages/ppopen-appl-bem/package.py (#19460)daichi-nishi1-2/+2
2020-10-22ppopen-appl-dem-util:change download site to github. (#19461)daichi-nishi1-3/+5
* modified:var/spack/repos/builtin/packages/ppopen-appl-dem-util/package.py * modified:var/spack/repos/builtin/packages/ppopen-appl-dem-util/package.py:deleted whitespace
2020-10-22Add opencl-headers and use ocl-icd as OpenCL provider (#19463)lorddavidiii4-0/+96
* 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
2020-10-22modified:var/spack/repos/builtin/packages/ppopen-appl-fdm-at/package.py (#19464)daichi-nishi1-3/+2
2020-10-22Restrict Python version for Strelka to Python 2. (#19466)dunatotatos1-1/+1
Fix #19465
2020-10-22New Package: py-fastrlock (#19467)Jen Herting1-0/+24
* [py-fastrlock] created template * [py-fastrlock] added dependencies and setting --with-cython * [py-fastrlock] added homepage and description. removed fixmes
2020-10-22hercules (#19434)Andrew W Elble1-0/+22
2020-10-22Add new package: py-cantoolz (#18812)darmac1-0/+26
* Add new package: py-cantoolz * refine depends
2020-10-22New package: orc (#19441)Jen Herting2-0/+242
* [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
2020-10-22[treelite] added python and protobuf support (#19444)Jen Herting1-1/+45
* [treelite] added protobuf variant * [treelite] adding python support * [treelite] disable protobuf by default * [treelite] flake8 * [treelite] reordered phases
2020-10-22transrate: new package at 1.0.3 (#19295)Justin S1-0/+24
* transrate: new package at 1.0.3 * transrate: add macOS binary distribution * transrate: fix platform switching
2020-10-22py-tomlkit: new package at 0.7.0 (#19450)Justin S1-0/+22
* py-tomlkit: new package at 0.7.0 * py-tomlkit: add dependencies
2020-10-22New package: py-labours (#19433)Andrew W Elble1-0/+31
* py-labours * fix dep version constraints
2020-10-22py-seriate (#19432)Andrew W Elble1-0/+26
2020-10-22New package: py-or-tools (#19431)Andrew W Elble1-0/+52
* py-or-tools * python is, of course, a runtime dep * more dependency fixes, use extends. * protobuf is >= 3.12.2
2020-10-22r-sf: fix build error (#19386)darmac1-1/+1
* 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>
2020-10-22Add herwig3 (#19406)iarspider1-0/+97
* 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>
2020-10-22cbc (#19419)Andrew W Elble1-0/+23
2020-10-22cgl (#19420)Andrew W Elble1-0/+26
2020-10-21New package: py-lifelines (#19429)Andrew W Elble1-0/+33
* py-lifelines * also carry the newer version of lifelines * 0.25.5 needs python >= 3.6
2020-10-21clp (#19418)Andrew W Elble1-1/+6
2020-10-21Add Gosam (#19401)iarspider1-0/+26
* Add recipe for qgraf * Revert "Add recipe for qgraf" This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd. * Add gosam * Flake-8 * Flake-8 * Delete gosam-1.2.4.patch Remove patch * Remove patch from recipe * Changes from MR Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
2020-10-21new package: py-tinyarray (#19454)Tom Payerle1-0/+29
2020-10-21New package: py-autograd-gamma (#19426)Andrew W Elble1-0/+18
* py-autograd-gamma * missing dependencies
2020-10-21Add Njet (#19399)iarspider1-0/+23
* Add recipe for qgraf * Revert "Add recipe for qgraf" This reverts commit 76783f73867a32b4a96e980e31a433ed3c0037fd. * Add NJet * flake-8 * Flake-8 Co-authored-by: Ivan Razumov <ivan.razumov@cern.ch>
2020-10-21Add qgraf (#19404)iarspider1-0/+21
* 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>
2020-10-21osi (#19424)Andrew W Elble1-0/+27
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