* sirius, update versions, fixes, add missing options
- sirius/spfft: depend on fftw-api
- cleanup +shared option
- sirius add option for memory pool
- sirius add version 6.5.3 and 6.5.4
- sirius: add spfft dependency for @master, @develop
* add nlcglib package
Robust wave function optimization for SIRIUS.
* add q-e-sirius package
based on q-e package
* Update var/spack/repos/builtin/packages/q-e-sirius/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* nlcglib: pass nvcc_wrapper to cmake
* Add 6.5.6
* Make flake8 happy
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
* canu: fix depends issue & using java instead of jdk
* Update var/spack/repos/builtin/packages/canu/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* typo error correction
* Adding recipe for `colorspacious` (a python package)
* Copyright year changed
* revert last commit on basic_usage.rst
* better with a good description
* fix according to failed test
* Update var/spack/repos/builtin/packages/py-colorspacious/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-colorspacious/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Additional versions of py-jsonschema.
* Tweak to force Maestro to use jsonschema@3.2.0:
* Correction of whitespace (flake8 error).
* Merges importlib's Python version conditons
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add new versions of spfft
* Extend CudaPackage and use virtual fftw package
Co-authored-by: Simon Pintarelli <simon.pintarelli@cscs.ch>
* Add CUDA 11 compatibility note
* Depend on older cuda <= 10 for spfft <= 0.9.11
Co-authored-by: Simon Pintarelli <simon.pintarelli@cscs.ch>
* introduce logic for boost+context dependency and generic_context variant
* fix OTF2 instrumentation minor problem
* default coroutine impl depends on platform
* fix flake8
* add reference to ~generic_coroutines conflict info
* Update var/spack/repos/builtin/packages/hpx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Octopus: Add support for version 10.0.
Fix compilation when using the MKL as a provider for BLAS/LAPACK. Octopus will now detect that the MKL also provides the FFTW API and will refuse to compile when both the FFTW library and the MKL are given to the configure script.
* Octopus: Add supported version range for libxc.
* berkeley-db: add version 18.1.40, update build options in package
* combine adamjstewart's changes
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [kassiopeia] New package
* [kassiopeia] Remove master branch, update dependencies
* Update var/spack/repos/builtin/packages/kassiopeia/package.py
Unable to test since I do not have a license to intel-parallel-studio, but I see no reason why it would not work if.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [kassiopeia] depends_on mpi
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [kassiopeia] cmake_args with self.spec.satisfies and elses
* [kassiopeia] args.extend -> args.append
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* h5py: explicitly specify version
hdf5@1.10.5 on Cray is wrongly detected as 1.8.4.
* Update var/spack/repos/builtin/packages/py-h5py/package.py
Thanks. Also had this first, then CI was complaining about line length ...
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update LBANN, Hydrogen, Aluminum to inherit CudaPackage
* Update CMake constraints: LBANN, Hydrogen, and Aluminum now require
cmake@3.16.0: (better support for pthreads with nvcc)
* Aluminum: add variants for host-enabled MPI and RMA features in a
MPI-GPU RDMA-enabled library
* NCCL: add versions 2.7.5-1, 2.7.6-1, and 2.7.8-1
* Hydrogen: add version 1.4.0
* LBANN: add versions 0.99 and 0.100
* Aluminum: add versions 0.4.0 and 0.5.0
* new package(s): py-gql
and related dependencies:
py-aiohttp
py-async-timeout
py-graphql-core
py-idna-ssl
py-multidict
py-websockets
py-yarl
new versions:
py-requests
* fixes
Co-authored-by: Andrew W Elble <aweits@skl-a-00.rc.rit.edu>
* NWChem 7.0.0
* add python2 for 6.8.1. removed 6.8 https://github.com/spack/spack/pull/17779#discussion_r462700413
* nwchem 6.8.1 breaks with gcc 10 and later
* restored extra python bits for version 6.8.1. add env. definition of basis libraries
* changes for flake8
* url fixed
* prevent 6.8.1 being compiled with gcc 10
* Ferret: Add missing dependency with curl.
* Ferret: Don't force using the static version of libgfortran.
* Ferret: Ensure Spack's compiler wrappers are used.
This allows properly setting the rpaths.
* Ferret: Add support for versions 7.3 to 7.6.
* Ferret: Add a variant to install Ferret standard datasets.
* Ferret: Define some useful runtime environnement variables.
* Ferret: Fix flake8.
Also add myself as a maintainer as suggested by @alalazo.
As discussed in issue #17638, wherein kahip fails to build when
scons is dependent on python@3.
This converts the print statements in various SConstruct files
into python3 friendly print functions.
I found most of the affected SConstruct files in both @2.00 and
the later versions I found on web, but some files were only in @2.00.
I split the patches into two files for that reason, but have not
tried the later versions.
* LAMMPS: Use LATTE 1.2.2 starting with version 20200602.
Version 20200602 and upper requires Latte 1.2.2. This caused the internal Latte distribution to be used instead of the Latte install provided by Spack.
* LAMMPS: Add new versions 20200630 and 20200721.
* dcmtk: fixed type error
* Update var/spack/repos/builtin/packages/dcmtk/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* New package: IDL
* Update var/spack/repos/builtin/packages/idl/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/idl/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* added license header and changed url_for_version to just url
* removed unused imports, addressed comments
* removed trailing whitespace on line 14
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
During configure lhapdf5 searches for python. On one system
I tested on (ubuntu 19.10) it finds a system installed python3
and fails to create the python extension.
Variant named to make explicit that this is only a python2 extension.
* update version: intel packages daal, ipp, mkl-dnn, mkl, mpi, parallel-studio, pin, tbb and makes url parameter consistent and always use single quote.
* Fixes a typo with one of the sha256 checksum..
* Adds version entries for new versions of Intel packages.
* Adds hashes for new versions of Intel packages.
* Adds missing hash of Intel compiler.
* Adds the newest version of Intel MPI 2019.8.
* Fixes hash for intel-parallel-studio and intel-tbb.
* Fixes version number of Intel MPI.
Co-authored-by: Robert Mijakovic <robert.mijakovic@lrz.de>
* openfoam: use MPI 'headers' property (fixes#17730)
* openfoam: +spdp variant, usable for OpenFOAM 1906 and later
in contrast to +float32, which uses single-precision throughout, +spdp
uses the following:
- single-precision for most internals
- double-precision for linear solver
* openfoam: add m4 as build dependency
* scotch: update to 6.0.9 released Oct 2019
Co-authored-by: Mark Olesen <Mark.Olesen@esi-group.com>
Libunwind already builds a shared library. The +pic variant adds the
compiler pic flag to the static archive so that it can be linked into
another shared library.
Eospac's build breaks on gcc@10: due to dependence on -fcommon behavior
and gnu changing to -fno-common. Added conditional argument to support
bleeding edge compilers
This PR adds the r-dss package and the r-bsseq package, also new, as a
dependency. This includes the latest versions, which required updates to
the following dependencies:
- r-biocgenerics
- r-iranges
- r-s4vectors
- r-summarizedexperiment
Older versions of r-dss and r-bsseq are included as well to ensure
compatibility with older versions of the above dependencies.
* WHIZARD: add versions 2.8.4 and 2.8.3
* New package: LCIO
* WHIZARD: add optional dependency on LCIO
* WHIZARD: add optional dependency on Openloops
* WHIZARD: allow building with either hepmc or hepmc3 dependencies
* Openloops: set process_lib_dir in configure
* Openloops: fix reference to variant
astropy 3.2.1 fails to build with python 3.8.3 with
errors similar to this:
astropy/stats/_stats.c:318:11: error: too many arguments to function 'PyCode_New'
PyCode_New(a, 0, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos)
These are files that are generated by cython, but are included in the
tarball. Since there's apparently been an API change to PyCode_New, they will
need to be re-cythonized to compile correctly.
* [M4] Add missing compiler flag on Cray Compiler
The new version of the Cray Compiler are based on Clang, which means we
need to add the same LDFLAG as other clang environments.
* Add new versions of texlive and poppler.
* Add new versions of harfbuzz which also relocated source location to github.
* Update var/spack/repos/builtin/packages/harfbuzz/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Restore deleted url line in harfbuzz.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Addition of Chainmap to satisfy Maestro dependency.
* Additional versions and dependencies for Maestro.
* Updated URL to point to pypi.
* Updates to chainmap hashes.
* Updates to pull version from PyPi.
* Corrections to flake8 errors.
* Stricter restrictions on Python versioning.
Maestro actually supports Python 3.5 and later.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Only install chainmap for Python2 versions.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Removal of setuptools python cond.
* Removal of version constaints on setuptools.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
GCC 4.8.5 on rhel6:
```
utext.cpp:572:5: error: 'max_align_t' in namespace 'std' does not name a
type
std::max_align_t extension;
^
utext.cpp: In function 'UText* utext_setup_67(UText*, int32_t,
UErrorCode*)':
utext.cpp:587:73: error: 'max_align_t' is not a member of 'std'
spaceRequired = sizeof(ExtendedUText) + extraSpace -
sizeof(std::max_align_t);
^
utext.cpp:587:73: note: suggested alternative:
In file included from
/projects/spack/opt/spack/gcc-4.4.7/gcc/6ln2t7b/include/c++/4.8.5/cstddef:42:0,
from utext.cpp:19:
/projects/spack/opt/spack/gcc-4.4.7/gcc/6ln2t7b/lib/gcc/x86_64-unknown-linux-gnu/4.8.5/include/stddef.h:
425:3: note: 'max_align_t'
} max_align_t;
^
utext.cpp:598:57: error: 'struct ExtendedUText' has no member named
'extension'
ut->pExtra = &((ExtendedUText *)ut)->extension;
^
g++ ... loadednormalizer2impl.cpp
g++ ... chariter.cpp
```
* Initial version of PySCF.
* Add master branch to xcfun library
* PySCF only compatible with specific commit of xcfun library
* Update var/spack/repos/builtin/packages/py-pyscf/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-pyscf/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Revert "PySCF only compatible with specific commit of xcfun library"
This reverts commit 8296005400.
* Revert "Add master branch to xcfun library"
This reverts commit f2b6998931.
* Issues conflict for xcfun library version rather than relying on a random commit.
* Add version xcfun 2.0.0a2 which is needed by PySCF.
* Remove xcfun conflict and express dependency more explictly. Add comment as to why this is necessary.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* wannier90: add versions 3.0.0 and 3.1.0 and 'shared variant'
Added versions 3.0.0 and 3.1.0
Added shared variant
Added url_for_version function as versions less than 3 are from the
wannier.org site and versions 3 and up are from github.com
Added the MPI libraries to the list of libs substituted into the make.sys file
in place of @LIBS
Made it possible to build a shared object version of the library for versions
< 3 by filtering the src/Makefile.2 file (based off of the patch from a src rpm
from RHEL for version 2.0.1)
Create a modules directory in the install prefix root directory and copy the
Fortran .mod files there.
Set the MPIFC variable to the Spack Fortran MPI compiler wrapper.
* abinit: added 'wannier90' variant which enables building abinit with wannier90
Added wannier90 variant
Made abinit depend on the shared object ('shared') variant of
wannier90 if the wannier90 variant is selected
Add configure args for wannier90 libs, includes, and binaries and to
set MPIFC
set the dft-flavor to wannier90 when wannier90 is enabled and only
set the dft flavor to 'atompaw+libxc' if wannier90 is not selected
* Update var/spack/repos/builtin/packages/abinit/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* incorporated bbecker's suggestion for making the strings less ugly!
* incorporated bbecker's suggestion to fix the logic for picking which
"DFT flavor" configure argument.
If the wannier variant is enabled, it passes --with-dft-flavor=wannier90
to configure, otherwise it passes --with-dft-flavor=atompaw+libxc to configure
* Changed to using plain strings
* Fixed version tests
* incorporated @adamjstewart's fix for testing if the major version is > 2
* incorporated @adamjstewart's fix to check if mpi is enabled and
only set the MPIFC variable if it is.
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Only set MPIFC if '+mpi' is set
* incorporated fixes from @adamjstewart including:
- using the string=True argument to filter_file (and removed the unneeded
escapes)
- changing the url to the github location
- fixing the version checks
- building a libwannier.dylib on darwin
* incorporated fixes suggested by @adamjstewart including:
- using the string=True argument to filter_file and cleaned up the escapes
- only pass the MPIFC argument to configure when '+mpi' is set
- chaned the url to the github site for Wannier090
- fixed the version checks
- build a 'libwannier.dylib' file when building the shared variant on darwin
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* moved a configure argument from it's own '+mpi' check to under the lower one
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Cleaned up syntax as suggested by @adamjstewart
It looks *so much better* now! Thanks!
* removed unneeded import of 'find' from 'llnl.util.filesystem' package
as suggested by @adamjstewart
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* incorporated changes from @adamjstewart
changed check to "if '@:2 +shared' in spec:" instead of a nested check of '@:2' and
'+shared'
removed unneeded joins used in filter_file and spliced the list of objs directly into
the filter_file call
used the dso_suffix instead of testing for darwin to determine the name of the
shared library
* removed whitespace from blank line
* fixed bug with '../../wannier90.x: .*' not being treated as a regexp. Thanks Adam!
* fixed missing whitespace when modifying Makefile.2
Co-authored-by: Greg Becker <becker33@llnl.gov>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* New package: OpenLoops
* install() for openloops
* Working OpenLoops recipe
* Flake-8
* Only copy collection file if required; add clarification to num_jobs
* Add __future__ import just in case
* Fix missing space
* Remove __future__ import
* Changes from review, pt. 1
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Replace print() with write()
* Flake-8
Co-authored-by: iarspider <iarpsider@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* vasp: New package.
* Remove unneeded `#noqa`
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Removed a completely needless tty.debug()
* Add compiler conflicts() and minute fixes
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* add apcomp package
* add maintainers
* fake8
* Update var/spack/repos/builtin/packages/apcomp/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* review suggestions
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* icu4c: Add new versions for older releases.
The old URLs for versions 60.1, 58.2 and 57.1 do not work anymore so add the versions available on Github.
The old versions are kept for reference (cf. #15896).
* icu4c: Add versions 66.1 and 67.1.
* icu4c: Fix compilation of versions 58 and 59 with recent glibc.
This matches the current latest version of protobuf in Spack.
Generally the version of py-protobuf and protobuf should match,
but this constraint is not currently recorded in py-protobuf.
* gdk-pixbuf: Add new stable versions.
* gdk-pixbuf: Add a missing dependency with libx11.
Also add a variant disabled by default to make it optional since it is considered deprecated
(cf. 3362e94c25).
* Added new versions to magics and began to set not-so-optional netcdf dependency
* Added enforced netcdf dependency
* Fix also works for version 4.1.0
* llvm-flang Only build offload code if cuda enabled
The current version executes `cmake(*args)` always as part of the post install. If device offload is not part of the build, this results in referencing `args` without it being set and the error:
```
==> Error: UnboundLocalError: local variable 'args' referenced before assignment
```
Looking at prevoous version of `llvm-package.py` this whole routine appears to be only required for offload, some indent `cmake/make/install` to be under the `if`.
* Update package.py
Add comment
* bbcp: Update the URLs to use HTTPS.
The HTTP URLs do not work anymore.
* bbcp: Add missing libnsl dependency.
* bbcp: Rename the git-based version to match the branch name.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pysam: add LDFLAGS to curl
* Update var/spack/repos/builtin/packages/py-pysam/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* New package: vbfnlo
* Add new package: vbfnlo
* Add recipe for looptools
* Add patch for looptools
* LoopTools: patch not needed (fixed by developers without changing version)
* Remove patch file as well
* Update package.py
* Update package.py
* Fix vbfnlo recipe for old version
Co-authored-by: iarspider <iarpsider@gmail.com>
* new package: ligra
* setup run environment
* tidy up
* Update var/spack/repos/builtin/packages/ligra/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/ligra/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/ligra/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* flake8
Co-authored-by: Sinan81 <sbulut@3vgeomatics.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
`gcc` 9 and above have more warnings that break the `flatcc` build by default, because `-Werror` is enabled. This loosens the build up so that we can build with more compilers in Spack.
- [x] Add `-DFLATCC_ALLOW_WERROR=OFF` to `flatcc` CMake arguments
Co-authored-by: Frank Willmore <willmore@anl.gov>
* Buildcache:
* Try mocking an install of quux, corge and garply using prebuilt binaries
* Put patchelf install after ccache restore
* Add script to install patchelf from source so it can be used on Ubuntu:Trusty which does not have a patchelf pat package. The script will skip building on macOS
* Remove mirror at end of bindist test
* Add patchelf to Ubuntu build env
* Revert mock patchelf package to allow other tests to run.
* Remove depends_on('patchelf', type='build') relying instead on
* Test fixture to ensure patchelf is available.
* Call g++ command to build libraries directly during test build
* Flake8
* Install patchelf in before_install stage using apt unless on Trusty where a build is done.
* Add some symbolic links between packages
* Flake8
* Flake8:
* Update mock packages to write their own source files
* Create the stage because spec search does not create it any longer
* updates after change of list command arguments
* cleanup after merge
* flake8
This PR creates a new spack package for
mumax: GPU accelerated micromagnetic simulator.
This uses the current beta version because
- it is somewhat dated, ~2018
- it is the only one that supports recent GPU kernels
* fix binutils deptype for gcc
binutils needs to be a run dependency of gcc
* Fix gcc+binutils build on RHEL7+
static-libstdc++ is not available with system gcc.
Anyway, as it is for bootstraping, we do not really care depending on
a shared libstdc++.
Co-authored-by: Michael Kuhn <michael@ikkoku.de>
* Add Rivet and YODA
* Add patches
* Flake-8
* Set level for Rivet patches
* Syntax fix
* Fix dependencies of Rivet
* Update var/spack/repos/builtin/packages/rivet/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
The latest 0.3.10 version openblas changed how Fortran libraries
are detected, and this broke Fujitsu compiler support.
This (new) openblas patch addresses that issue.
* dtfbplus: New package.
* dftbplus: Addresses @adamjstewart's comments on PR #15191
* dftbplus: Fixes format() calls that slipped in previous commit.
* dftbplus: Appease flake8.
* dftbplus: Change 'url' and misc. fixes.
* Add a resource to do the job of './utils/get_opt_externals'
Also:
* Add url_for_version function
* Add Java to PATH for run environment
* Update `install` method to handle old and new version
Co-authored-by: lu64bag3 <gerald.mathias@lrz.de>
* examl +
* examl style fix
* examl flake8 fix
* Update var/spack/repos/builtin/packages/examl/package.py
using `working_dir`
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* hbase: refine url , java and version
* Update var/spack/repos/builtin/packages/hbase/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [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.
* Update package.py
* edit confliction when add package 'meam'
The USER-MEAMC fully replaces the MEAM package, which has been removed from LAMMPS after the 12 December 2018 version.
* gromacs: fix fftw dependency
Only depend on fftw+mpi when gromacs is built with mpi,
and depend on fftw~mpi otherwise.
* gromacs: fix cmake dependency
master branch depends on cmake 3.11 (as specified in CMakeLists.txt
cmake dependency is also bumped to 3.11 when fj compilers are used
in order to fix OpenMP detection.
I get the following error message, if I do not use editline from the system.
```
>> 3090 Undefined symbols for architecture x86_64:
3091 "_tgetent", referenced from:
3092 _terminal_set in libedit.a(terminal.c.o)
3093 "_tgetflag", referenced from:
3094 _terminal_set in libedit.a(terminal.c.o)
3095 "_tgetnum", referenced from:
3096 _terminal_set in libedit.a(terminal.c.o)
...
3110 _terminal_insertwrite in libedit.a(terminal.c.o)
3111 _terminal_clear_EOL in libedit.a(terminal.c.o)
3112 _terminal_clear_screen in libedit.a(terminal.c.o)
3113 _terminal_beep in libedit.a(terminal.c.o)
3114 ...
3115 ld: symbol(s) not found for architecture x86_64
```
