* [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 8296005400fbe76d0c8339b7ca06e71a801f0a22.
* Revert "Add master branch to xcfun library"
This reverts commit f2b69989316a6bece6530d5d63f1d120ab4c14a8.
* 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.
