Commit graph

15351 commits

Author SHA1 Message Date
Sergey Kosukhin
2139c8e53e
py-netcdf4: make sure we don't use system hdf5. (#16492) 2020-05-06 18:14:10 -05:00
Adam J. Stewart
b14befe61a
Bazel: add new versions (#16493) 2020-05-06 18:12:40 -05:00
Adam J. Stewart
d2709fd376
TensorFlow: add new version (#16494) 2020-05-06 18:12:28 -05:00
Kevin Manalo
e8753fe972
OpenMPI - Update to 3.1.6 (#16496) 2020-05-06 18:12:14 -05:00
iarspider
638784e4c3
Add new version of Geant4 (#16497) 2020-05-06 18:11:40 -05:00
Adam J. Stewart
74b3ae4803
PyTorch/Torchvision: fix deptype (#16495) 2020-05-06 18:05:26 -05:00
yellowhat
d1983d7395
blis: FIX threads option, HPL: enable opemp variant for 2.3 (#16476)
* blis: FIX threads option

* HPL: openmp variant is ignored for 2.3

* blis: FIX flake8

* blis: FIX spacing

* Update var/spack/repos/builtin/packages/hpl/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

* hpl: FIX spec --> self.spec, FIX blas with amdblis

* HPL: fix flake8

* HPL: FIX flake8

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2020-05-06 15:36:29 -05:00
Elizabeth Fischer
1aacdc4e18
qscintilla (#16182)
* qscintilla

* Revert "qscintilla"

This reverts commit 00bd00ea3c5af4f29de5dd6961acf03fb51e2ea0.

* Move logic to qt package.

* flake8

Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-06 15:35:36 -05:00
Scott Wittenburg
6d1e9c3ff4
margo: update dependency on argobots (#16489) 2020-05-06 12:17:28 -07:00
Greg Becker
d0220a990c
fix underscore/dash problems for mic_knl and skylake_avx512 (#16491) 2020-05-06 12:10:08 -07:00
Axel Huebl
bf203383bd
macOS Package Builds (nightly) (#16345)
Add nightly builds for popular and commonly used packages on
macOS that should improve the onramp user experience if
working well.
2020-05-06 11:51:29 -07:00
Peter Scheibel
b030a81a5f
Automatically find externals (#15158)
Add a `spack external find` command that tries to populate
`packages.yaml` with external packages from the user's `$PATH`. This
focuses on finding build dependencies. Currently, support has only been
added for `cmake`.

For a package to be discoverable with `spack external find`, it must define:
  * an `executables` class attribute containing a list of
    regular expressions that match executable names.
  * a `determine_spec_details(prefix, specs_in_prefix)` method

Spack will call `determine_spec_details()` once for each prefix where
executables are found, passing in the path to the prefix and the path to
all found executables. The package is responsible for invoking the
executables and figuring out what type of installation(s) are in the
prefix, and returning one or more specs (each with version, variants or
whatever else the user decides to include in the spec).

The found specs and prefixes will be added to the user's `packages.yaml`
file. Providing the `--not-buildable` option will mark all generated
entries in `packages.yaml` as `buildable: False`
2020-05-05 17:37:34 -07:00
Adam J. Stewart
7e5874c250
PyTorch: add patches to fix build (#16477) 2020-05-05 16:56:03 -05:00
Christoph Junghans
fbdd290877
kokkos: add v3.1.01 (#16470)
* kokkos: add v3.1.01

* kokkos: fix up versions

* kokkos-kernels: follow upstream versioning
2020-05-05 15:31:13 -06:00
Greg Becker
dd3762d0f9
cray platform: support cray Cluster and XC type machines (#12989)
Cray has two machine types. "XC" machines are the larger
machines more common in HPC, but "Cluster" machines are
also cropping up at some HPC sites. Cluster machines run
a slightly different form of the CrayPE programming environment,
and often come without default modules loaded. Cluster
machines also run different versions of some software, and run
a linux distro on the backend nodes instead of running Compute 
Node Linux (CNL).

Below are the changes made to support "Cluster" machines in
Spack. Some of these changes are semi-related general upkeep
of the cray platform.

* cray platform: detect properly after module purge

* cray platform: support machines running OSs other than CNL

Make Cray backend OS delegate to LinuxDistro when no cle_release file
favor backend over frontend OS when name clashes

* cray platform: target detection uses multiple strategies

This commit improves the robustness of target
detection on Cray by trying multiple strategies.

The first one that produces results wins. If
nothing is found only the generic family of the
frontend host is used as a target.

* cray-libsci: add package from NERSC

* build_env: unload cray-libsci module when not explicitly needed

cray-libsci is a package in Spack. The cray PrgEnv
modules load it implicitly when we set up the compiler.
We now unload it after setting up the compiler and
only reload it when requested via external package.

* util/module_cmd: more robust module parsing

Cray modules have documentation inside the module
that is visible to the `module show` command.
Spack module parsing is now robust to documentation 
inside modules.

* cce compiler: uses clang flags for versions >= 9.0

* build_env: push CRAY_LD_LIBRARY_PATH into everything

Some Cray modules add paths to CRAY_LD_LIBRARY_PATH
instead of LD_LIBRARY_PATH. This has performance benefits
at load time, but leads to Spack builds not finding their
dependencies from external modules.
Spack now prepends CRAY_LD_LIBRARY_PATH to
LD_LIBRARY_PATH before beginning the build.

* mvapich2: setup cray compilers when on cray

previously, mpich was the only mpi implementation to support
cray systems (because it is the MPI on Cray XC systems). 
Cray cluster systems use mvapich2, which now supports cray
compiler wrappers.

* build_env: clean pkgconf from environment

Cray modules silently add pkgconf to the user environment
This can break builds that do not user pkgconf.
Now we remove it frmo the environment and add it again if it
is in the spec. 

* cray platform: cheat modules for rome/zen2 module on naples/zen node

Cray modules for naples/zen architecture currently specify
rome/zen2. For now, we detect this and return zen for modules
named `craype-x86-rome`.

* compiler: compiler default versions

When detecting compiler default versions for target/compiler
compatibility checks, Spack previously ran the compiler without
setting up its environment. Now we setup a temporary environment
to run the compiler with its modules to detect its version.

* compilers/cce: improve logic to determine C/C++ std flags

* tests: fix existing tests to play nicely with new cray support

* tests: test new functionality

Some new functionality can only be tested on a cray system.
Add tests for what can be tested on a linux system.

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2020-05-05 13:58:46 -07:00
Axel Huebl
7be7d672b7
OpenBLAS: Fix LLVM 9.0.0 ICE on macOS (#16471)
Recently added patch to port the LLVM 9.0.0 ICE with OpenBLAS and
AVX-512 instructions as well to AppleClang (11.0.3).
2020-05-05 13:45:01 -05:00
Sajid Ali
eff8e1d20b
minor (#16467) 2020-05-05 13:43:00 -05:00
Massimiliano Culpo
aa9c98b6a2
Make usage example consistent with current MV variants (#16468)
Since #9481 Python's None is not permitted as a value for
MV variants. The string 'none' is used instead.

Add the same fix for the amgx and lammps packages
2020-05-05 20:22:32 +02:00
Jennifer Green
de71b2828f
CMake: Cray XC40 system errors bootstrapping CMake (#16459)
* CMake: fix https://github.com/spack/spack/issues/16453 with a patch addressing both libhugetlbfs and icpc warnings on Cray XC40 systems

* Including CMake v3.17.2 in the patched versions
2020-05-05 14:02:49 -04:00
Christoph Junghans
ff3769e2e2
cabana: add v0.3.0 & shared variant (#16466) 2020-05-05 11:59:28 -05:00
Chris White
2cb4ae747d
Add Axom spack package (#15432)
* Add OpenMP variant to Umpire

* Initial implementation of Axom package

* Add Axom spack package and fix required dependencies

* Fix overzealous tag replacement

* Attempt to fix version error

* Fix python version attempt #2

* Update raja and umpire

* remove sys_type check

* Address comments in axom package

* Address Greg's comments

* Fix flake8

* more flake8

* Simplify MPIEXEC and MPIEXEC_NUMPROC_FLAG

* Fix typo

* Revert back to slurm check, fix cuda_arch checks

* Fix cuda_arch variant forwarding

* Add cub variant

* Add py-shroud

* Address comments

* Fix shroud path in axom

* Fix merge conflict

* Fix backwards if

* Fix flake8 and add copyright

* format for consistency
2020-05-05 08:52:32 -07:00
Justin S
70c9dd37a7
exonerate-gff3: new package at 2.3.0 (#11830) 2020-05-05 10:51:59 -05:00
Justin S
0e60ec7f1c
perl-bio-searchio-hmmer: new package at 1.7.3 (#16281)
* perl-bio-searchio-hmmer: new package at 1.7.3

* perl-bio-searchio-hmmer: add dependencies
2020-05-05 10:50:06 -05:00
Axel Huebl
6013060c60
WarpX: RZ + PSATD (#16464)
Add additionally required dependencies to WarpX that are needed
for transformations in RZ geometry with spectral (PSATD) solvers.
2020-05-05 10:48:23 -05:00
Tim Haines
33b129b919
Boost: Add version 1.73.0 (#16442) 2020-05-05 08:26:11 -05:00
vvolkl
c2791a4baa
[dd4hep] fix python setup (#16461) 2020-05-05 08:25:26 -05:00
Benjamin Tovar
f1bb0f8aad
cctools to 7.1.5 (#16450)
* change homepage to readthedocs

* update cctools version to 7.1.5

* change http to https
2020-05-05 08:24:42 -05:00
Christoph Junghans
04cb1800a6
lammps: added v20200505 (#16463) 2020-05-05 09:54:30 +02:00
Greg Becker
3ae76d8c1e
bugfix: config:install_hash_length ignored (#15919) 2020-05-04 23:10:25 -07:00
Adam J. Stewart
b9ed788589
py-shapely: add master version (#16465) 2020-05-04 23:42:17 -05:00
Elizabeth Fischer
4c323e49bf
libspatialite: Update for proj@6 (#16173)
* 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>
2020-05-04 19:44:54 -05:00
Elizabeth Fischer
76bd143c30
libsecret (#16174)
* libsecret

* Update package.py

Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04 19:44:23 -05:00
vvolkl
e575ba2773
bugfix: Update run-time dependencies of py-xenv (#16460)
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'
```
2020-05-04 19:41:19 -05:00
vvolkl
befd472594
[gaudi] fixes and patches (#16433)
* [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>
2020-05-04 19:40:13 -05:00
Greg Becker
8e2f5ba861
environments: allow sigils to apply to entire reference (#15245)
* environments: allow sigils to apply to entire reference
2020-05-04 15:11:10 -07:00
Amjad Kotobi
6c07260d27
ecFlow added UI & GUI flag with new version (#16444)
* ecFlow added UI & GUI flag with new version

* Fix1
2020-05-04 16:57:06 -05:00
Elizabeth Fischer
5adf703414
py-palletable: Add new version (#16445)
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04 16:55:54 -05:00
Elizabeth Fischer
43d2c7f3b5
py-cf-units: Add new version (#16446)
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04 16:53:12 -05:00
René Widera
e808a52176
update isaac and issac-server to v1.5.0 (#16452)
Update package.py with the latest release [ISAAC v1.5.0].
2020-05-04 16:47:12 -05:00
Matthias Diener
fe350224b6
pocl: add version 1.5 (#16455)
* pocl: add version 1.5

* update clang version
2020-05-04 16:46:30 -05:00
Matthias Diener
0a4e078648
hwloc: add version 2.2.0 (#16456) 2020-05-04 16:45:55 -05:00
Shintaro Iwasaki
0475edfbf2
BOLT: add 1.0 (#16457) 2020-05-04 16:45:28 -05:00
Shintaro Iwasaki
acf0c90283
argobots: mark 1.0 as preferred (#16458)
By default, Spack chooses 1.0rc2 instead of 1.0 though 1.0 is the stable and
newer release.  We manually mark the version 1.0 as preferred.
2020-05-04 16:44:50 -05:00
Oliver Breitwieser
1cff717ca8 Fix git-related commands not working in worktrees
If spack is checked out in a git worktree (see [1]), all git-related
commands fail because the `spack_is_git_repo()`-check is not thorough
enough.

When developing in a feature-branch in a seperate worktree, this is
annoying as all unittests regarding git-related spack commands fail,
cluttering the test results with false-positives.

[1]: https://git-scm.com/docs/git-worktree

Change-Id: I94b573a2c0e058e9ccc169e7ee6561626fbb06fd
2020-05-04 14:39:25 -07:00
Elizabeth Fischer
dea5d913db
Updates to Python for macOS (#16449)
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
2020-05-04 16:30:59 -05:00
Elizabeth Fischer
7b31f5474b
grass: new versions (#16181)
* 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>
2020-05-04 16:25:19 -05:00
Axel Huebl
87f78137a5
LAPACKC++: added "shared" variant (#16419)
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.
2020-05-04 09:39:20 +02:00
Dr. Christian Tacke
d5adad6953
singularity: added missing dependencies (#16430)
See:

https://sylabs.io/guides/3.5/user-guide/quick_start.html#install-system-dependencies

for pkg-config and libseccomp
2020-05-04 09:02:38 +02:00
Nichols A. Romero
860c54335d
QE-to-QMCPACK wave function converter relocation + some bug fixes (#16422)
* 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>
2020-05-03 14:53:01 -06:00
Adam J. Stewart
caad59e7c7
NumPy: add 1.18.4 (#16441) 2020-05-03 13:29:15 -05:00