Commit graph

23474 commits

Author SHA1 Message Date
Valentin Volkl
81d157b05e
garfieldpp: update dependencies, add variant (#25816) 2021-10-13 02:13:50 +02:00
Jen Herting
0f9080738f
[py-spacy] added version 2.3.7 (#25999) 2021-10-12 23:57:04 +00:00
Scott McMillan
b937aa205b
Fix Amber patch target specification (#26687)
Co-authored-by: Scott McMillan <smcmillan@nvidia.com>
2021-10-13 00:15:05 +02:00
Jose E. Roman
31b0fe21a2
py-slepc4py: add missing depends_on() (#26688) 2021-10-13 00:09:19 +02:00
Bernhard Kaindl
e7bfaeea52
libical: Add missing deps: pkgconfig, glib and libxml2 (#26618)
Libical needs pkgconfig, glib and libxml2 to build.
2021-10-12 23:22:49 +02:00
Harmen Stoppels
1ed695dca7
Improve error messages for bootstrap download failures (#26599) 2021-10-12 22:11:07 +02:00
Bernhard Kaindl
b6ad9848d2
babelflow, parallelmergetree: fix build with gcc11 (#26681)
gcc-11 does not include the <limits> and <algorithm> as side effect
of including other header, at least not as often as earlier gcc did.
2021-10-12 21:45:00 +02:00
Stephen Herbein
8d04c8d23c
flux-core, flux-sched: add 0.29.0, 0.18.0 and cleanup env vars (#26391)
Problem: Flux expects the `FLUX_PMI_LIBRARY_PATH` to point directly at
the `libpmi.so` installed by Flux.  When the env var is unset,
prepending to it results in this behavior.  In the rare case that the
env var is already set, then the spack `libpmi.so` gets prepended with a
`:`, which Flux then attempts to interpret as a single path.

Solution: don't prepend to the path, instead set the path to point to
the `libpmi.so` (which will be undone when Flux is unloaded).

* flux-core: remove deprecated environment variables

The earliest checksummed version in this package is 0.15.0. As of
0.12.0, wreck (and its associated paths) no longer exist in Flux. As of
0.13.0, the `FLUX_RCX_PATH` variables are no longer used. So clean up
these env vars from the `setup_run_environment`.
2021-10-12 21:39:43 +02:00
Adam J. Stewart
47554e1e2f
GMT: add conflict for GCC 11 (#26684) 2021-10-12 17:56:17 +00:00
Bernhard Kaindl
862ce517ce
gromacs: @2018:2020: add #include <limits> for newer %gcc builds (#26678)
gromacs@2018:2020.6 is fixed to build with gcc@11.2.0
by adding #include <limits> to a few header files.

Thanks to Maciej Wójcik <w8jcik@gmail.com> for testing versions.
2021-10-12 11:39:09 -06:00
Alexander Jaust
50a2316a15
Add missing spack command in basic usage tutorial (#26646)
The `find` command was missing for the examples forcing colorized output. Without this (or another suitable) command, spack produces output that is not using any color. Thus, without the `find` command one does not see any difference between forced colorized and non-colorized output.
2021-10-12 19:23:53 +02:00
Mark W. Krentel
2edfccf61d
binutils: fix parallel make for version 2.36 (#26611)
There was a bug in 2.36.* of missing Makefile dependencies.  The
previous workaround was to require 2.36 to be built serially.  This is
now fixed upstream in 2.37 and this PR adds the patch to restore
parallel make to 2.36.
2021-10-12 19:01:46 +02:00
Veselin Dobrev
e2a64bb483
mfem: patch @4.3.0 to support hypre up to v2.23.0 (#26640) 2021-10-12 18:29:56 +02:00
Manuela Kuhn
ff66c237c0
py-niworkflows: add new package (#26639)
* py-niworkflows: add new package

* Update var/spack/repos/builtin/packages/py-niworkflows/package.py

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

* remove unnecessary comment

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2021-10-12 11:22:44 -05:00
Manuela Kuhn
f8910c7859
py-nistats: add new package (#26662)
* py-nistats: add new package

* Update var/spack/repos/builtin/packages/py-nistats/package.py

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

* remove `conflicts`

* remove test dependencies

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2021-10-12 11:22:00 -05:00
Harmen Stoppels
e168320bb1
spack: Add package (#25979)
* Make python 2 use 'from __future__ import absolute_import' to allow import spack.pkgkit

* Add Spack

* Improve ranges
2021-10-12 11:39:39 -04:00
Sergei Shudler
f58f5f8a0d
babelflow, parallelmergetree: add the current versions (#26660) 2021-10-12 17:36:13 +02:00
Vanessasaurus
ce7eebfc1f
allowing spack monitor to handle redirect (#26666)
when deployed on kubernetes, the server sends back permanent redirect responses.
This is elegantly handled by the requests library, but not urllib that we have
to use here, so I have to manually handle it by parsing the exception to
get the Location header, and then retrying the request there.

Signed-off-by: vsoch <vsoch@users.noreply.github.com>
2021-10-12 17:29:22 +02:00
Jonas Thies
f66ae104bf
phist: force MPI compiler wrappers (#26312)
* packages/phist, re #26002: force phist to use MPI compiler wrappers (copied from trilinos package)

* packages/phist re #26002, use cmake-provded FindMPI module only

* packages/phist source code formatting

* packages/phist: set MPI_HOME rather than MPI_BASE_DIR, thanks @sethri.

* phist: delete own FindMPI.cmake for older versions (rather than patching it away)

* packages/phist: remove blank line

* phist: adjust sorting of imports

* phist: change order of imports
2021-10-12 11:11:00 -04:00
Joseph Wang
1e382d6d20
madgraph5amc: Add changes fixing bugs shown by gcc10 (#26643) 2021-10-12 15:55:48 +02:00
Martin Aumüller
6f8f37ffb1
ispc: update development branch name and limit to llvm@12 (#26676)
1.16 and 1.16.1 are not compatible with LLVM 13
2021-10-12 14:31:24 +02:00
Massimiliano Culpo
551120ee0b
ASP-based solver: decrease the priority of multi-valued variant optimization for root (#26677)
The ASP-based solver maximizes the number of values in multi-valued
variants (if other higher order constraints are met), to avoid cases
where only a subset of the values that have been specified on the
command line or imposed by another constraint are selected.

Here we swap the priority of this optimization target with the
selection of the default providers, to avoid unexpected results
like the one in #26598
2021-10-12 14:15:48 +02:00
Harmen Stoppels
c2bf585d17
Fix potentially broken shutil.rmtree in tests (#26665)
Seems like https://bugs.python.org/issue29699 is relevant. Better to
just ignore errors when removing them tmpdir. The OS will remove it
anyways.

Errors are happening randomly from tests that are using this fixture.
2021-10-12 14:01:52 +02:00
Martin Diehl
66b32b337f
damask{,-grid,-mesh}: add @3.0.0-alpha5 (#26570) 2021-10-12 13:22:09 +02:00
Maciej Wójcik
4b2cbd3aea
gromacs: Add Gromacs 2020.6 and Plumed 2.7.2 (#26663) 2021-10-12 13:01:10 +02:00
Bernhard Kaindl
cb06f91df7
boost: Fix build of 1.53:1.54 with glibc>=2.17 (#26659)
Fix missing declaration of uintptr_t with glibc>=2.17 in 1.53:1.54
See: https://bugs.gentoo.org/482372
2021-10-12 10:59:36 +02:00
Harmen Stoppels
0c0831861c
Avoid quadratic complexity in log parser (#26568)
TL;DR: there are matching groups trying to match 1 or more occurrences of
something. We don't use the matching group. Therefore it's sufficient to test
for 1 occurrence. This reduce quadratic complexity to linear time.

---

When parsing logs of an mpich build, I'm getting a 4 minute (!!) wait
with 16 threads for regexes to run:

```
In [1]: %time p.parse("mpich.log")
Wall time: 4min 14s
```

That's really unacceptably slow... 

After some digging, it seems a few regexes tend to have `O(n^2)` scaling
where `n` is the string / log line length. I don't think they *necessarily*
should scale like that, but it seems that way. The common pattern is this

```
([^:]+): error
```

which matches `: error` literally, and then one or more non-colons before that. So
for a log line like this:

```
abcdefghijklmnopqrstuvwxyz: error etc etc
```

Any of these are potential group matches when using `search` in Python:

```
abcdefghijklmnopqrstuvwxyz
 bcdefghijklmnopqrstuvwxyz
  cdefghijklmnopqrstuvwxyz
                         ⋮
                        yz
                         z
```

but clearly the capture group should return the longest match.

My hypothesis is that Python has a very bad implementation of `search`
that somehow considers all of these, even though it can be implemented
in linear time by scanning for `: error` first, and then greedily expanding
the longest possible `[^:]+` match to the left. If Python indeed considers
all possible matches, then with `n` matches of length `1 .. n` you
see the `O(n^2)` slowness (i verified this by replacing + with {1,k}
and doubling `k`, it doubles the execution time indeed).

This PR fixes this by removing the `+`, so effectively changing the 
O(n^2) into a O(n) worst case.

The reason we are fine with dropping `+` is that we don't use the
capture group anywhere, so, we just ensure `:: error` is not a match
but `x: error` is.

After going from O(n^2) to O(n), the 15MB mpich build log is parsed
in `1.288s`, so about 200x faster.

Just to be sure I've also updated `^CMake Error.*:` to `^CMake Error`,
so that it does not match with all the possible `:`'s in the line.
Another option is to use `.*?` there to make it quit scanning as soon as
possible, but what line that starts with `CMake Error` that does not have
a colon is really a false positive...
2021-10-12 00:05:11 -07:00
Manuela Kuhn
580a20c243
py-templateflow: add 0.4.2 (#26471)
* py-templateflow: add 0.4.2

* py-templateflow: fix python dependency for 0.4.2

* py-templateflow: remove wheel dependency for older versions
2021-10-11 21:37:50 -05:00
Manuela Kuhn
eb486371b2
py-pysurfer: add new package (#26638) 2021-10-11 21:36:43 -05:00
Manuela Kuhn
0da892f2dd
py-pandas: fix installation and tests for versions @:0.25 (#26668) 2021-10-12 00:44:32 +00:00
Daniele Cesarini
a36a5ab624
fleur: new package (#26631) 2021-10-12 02:31:23 +02:00
Todd Kordenbrock
af2ecf87d4
Faodel: Update for the v1.2108.1 release (#26516) 2021-10-11 23:17:42 +00:00
Valentin Volkl
a0b9face0d
frontier-client: add missing openssl dependency (#26636) 2021-10-12 01:02:12 +02:00
Kevin Pedretti
0b62974160
openblas: fix build on riscv64 (#26565)
OpenBLAS now has support for the riscv64 architecture. This commit
extends the spack openblas package.py to handle building on riscv64.
2021-10-12 00:55:45 +02:00
Alan Sill
833f1de24a
bcl2fastq2: add boost@1.55 as default boost dependency (#26655)
When PR #26659 is merged, boost version boost@1.54.0 will be available for build too.

Co-authored-by: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com>
2021-10-11 22:21:17 +00:00
Bernhard Kaindl
4eb176b070
motif package: fix linking the simple_app demo program (#26574) 2021-10-11 15:00:42 -07:00
Desmond Orton
95e63e0c29
New Package Qualimap:2.2.1 (#26615)
Co-authored-by: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com>
2021-10-11 19:28:34 +00:00
Derek Ryan Strong
2644a15ff9
GNU parallel package: add version 20210922 (#26591) 2021-10-11 12:08:06 -07:00
Marie Houillon
c7785b74be
openCARP packages: add version 8.1 (#26602) 2021-10-11 12:07:05 -07:00
Bernhard Kaindl
260f4ca190
mapserver: Add missing deps: giflib and postgresql (#26619) 2021-10-11 12:04:18 -07:00
Michael Kuhn
d1f3279607
installer: Support showing status information in terminal title (#16259)
Installing packages with a lot of dependencies does not have an easy way
of judging the current progress (apart from running `spack spec -I pkg`
in another terminal). This change allows Spack to update the terminal's
title with status information, including its current progress as well as
information about the current and total number of packages.
2021-10-11 17:54:59 +02:00
Seth R. Johnson
8f62039d45
llvm: add conflict for newer apple-clang versions (#26633) 2021-10-11 17:49:23 +02:00
Bernhard Kaindl
2e9512fe8b
mesa: gallium fails with llvm@13: use 'llvm@6:12', add mesa@21.2.3 (#26627)
The software rasterizer of Mesa's Gallium3D(even @21.2.3) fails to
build with llvm@13.0.0, use: depends_on('llvm@6:12', when='+llvm')
2021-10-11 17:34:33 +02:00
Matthew Archer
e034930775
kahip: update build system to cmake for v3.11, retain scons for older versions (#25645)
* kahip: update to cmake for v3.11, retain scons for older versions

* kahip: update build system to cmake for v3.11, retain SCons for older versions

* address PR comments and add maintainer

* address PR comments - correct version to 2.10, add deprecated and url, and remove scons version
2021-10-11 10:20:43 -05:00
Daniele Cesarini
79aba5942a
Update of siesta libs (#26489) 2021-10-11 09:09:39 -05:00
iarspider
78200b6b41
Add new versions of kiwisolver (#26597) 2021-10-11 09:09:01 -05:00
Harmen Stoppels
89220bc0e1
Only install env modifications in <prefix>/.spack (#24081)
- Do not store the full list of environment variables in
  <prefix>/.spack/spack-build-env.txt because it may contain user secrets.

- Only store environment variable modifications upon installation.

- Variables like PATH may still contain user and system paths to make
  spack-build-env.txt sourceable. Variables containing paths are
  modified through prepending/appending, and if we don't apply these
  to the current environment variable, we end up with statements like
  `export PATH=/path/to/spack/bin` with system paths missing, meaning
  no system binaries are in the path, which is a bad user experience.

- Do write the full environment to spack-build-env.txt in the staging dir,
  but ensure it is readonly for the current user, to make it a bit safer
  on shared systems.
2021-10-11 09:07:45 -05:00
Harmen Stoppels
c0c9ab113e
Add spack env activate --temp (#25388)
Creates an environment in a temporary directory and activates it, which
is useful for a quick ephemeral environment:

```
$ spack env activate -p --temp
[spack-1a203lyg] $ spack add zlib
==> Adding zlib to environment /tmp/spack-1a203lyg
==> Updating view at /tmp/spack-1a203lyg/.spack-env/view
```
2021-10-11 06:56:03 -04:00
Harmen Stoppels
f28b08bf02
Remove unused --dependencies flag (#25731) 2021-10-11 10:16:11 +02:00
iarspider
ad75f74334
New package: py-cppy (required for py-kiwisolver) (#26645) 2021-10-10 17:14:20 -05:00