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2305 commits

Author SHA1 Message Date
Todd Gamblin
8170bcfcdd Merge pull request #1574 from ARCCA/plumed-push 
Update plumed package to include optional modules
 2016-08-25 02:45:33 -07:00
Andrew Williams
07e0da24c5 Reverted url to point to tarball rather than git tag 2016-08-25 10:21:56 +01:00
Todd Gamblin
22d2786940 Merge pull request #1580 from davydden/pkg/trilinos_url_fix 
trilinos: switch to github url; fix missing py-numpy dependency
 2016-08-25 02:10:05 -07:00
Kelly (KT) Thompson
2ddaabed25 + Boost: fix recipe for intel compilers. 
This is the same patch provided by PR #550, but rebased against the current
develop branch. It also passes the flake8 checks.
 2016-08-24 15:57:28 -06:00
Todd Gamblin
93cb2db531 Fix build dependency. 2016-08-24 14:10:12 -07:00
Todd Gamblin
a7e568b1d1 Merge branch 'eschnett/sympol' of git://github.com/eschnett/spack into eschnett-eschnett/sympol 2016-08-24 14:05:05 -07:00
Todd Gamblin
19bbe5e421 Merge pull request #1596 from eschnett/eschnett/git-update 
Update git to 2.9.3
 2016-08-24 14:03:04 -07:00
Todd Gamblin
86fe78f5f1 Merge pull request #1582 from eschnett/eschnett/gcc-update 
Update gcc to @6.2.0
 2016-08-24 14:02:54 -07:00
Todd Gamblin
e6bac6f208 Merge pull request #1613 from eschnett/eschnett/cmake-update 
Update cmake to 3.6.1
 2016-08-24 08:49:33 -07:00
Todd Gamblin
63859bf113 Merge pull request #1575 from davydden/pkg/nwchem 
nwchem: add new package
 2016-08-24 08:49:11 -07:00
Todd Gamblin
5cfa74801f Merge pull request #1565 from adamjstewart/features/fftw 
Add latest version of fftw
 2016-08-24 08:49:00 -07:00
Adam J. Stewart
5970b7a00a Only run tests if explicitly requested 2016-08-24 10:34:20 -05:00
Erik Schnetter
41750ce70d Update cmake to 3.6.1 2016-08-24 10:45:13 -04:00
Denis Davydov
d154f151aa py-cclib: new package 2016-08-24 16:26:35 +02:00
Denis Davydov
6d2d5806b5 nwchem: add python module 2016-08-24 13:40:02 +02:00
Denis Davydov
dae219d5c3 nwchem: add another patch 2016-08-23 22:24:16 +02:00
Denis Davydov
459b6eae11 nwchem: add another patch 2016-08-23 22:15:38 +02:00
Erik Schnetter
3194f2001b Update git to 2.9.3 2016-08-23 15:35:43 -04:00
Erik Schnetter
05f5ba4bf9 Correct flake8 errors 2016-08-23 14:57:29 -04:00
Erik Schnetter
73cae8d9c4 Implement review requests 
- use two empty lines before `class`
- change version numbering scheme for packages, use `url_for_version` to make things work
- specify dependency types
- add comment about temporarily moved download location
- update two packages to newer versions
 2016-08-23 13:52:28 -04:00
Denis Davydov
52ae0ea055 trilinos: use version.dashed 2016-08-23 18:48:17 +02:00
David Beckingsale
243d516bf0 Ensure RAJA builds out-of-source 2016-08-23 08:18:26 -07:00
Denis Davydov
6500ac80e4 nwchem: fix lapack detection 2016-08-23 16:46:40 +02:00
Erik Schnetter
a2692e4ef5 sympol: Add package 2016-08-23 10:41:08 -04:00
Erik Schnetter
bdc825fc3c cddlib: Point download url to a (more reliable) Fedora server 2016-08-23 09:59:56 -04:00
Erik Schnetter
64d3f87e60 Merge branch 'develop' into eschnett/sympol 2016-08-23 09:45:46 -04:00
Denis Davydov
7eb386e55e nwchem: add patches 2016-08-23 14:52:18 +02:00
Denis Davydov
5da9116c06 nwchem: add scalapack; extra steps for 32bit blas/lapack 2016-08-23 11:55:00 +02:00
Denis Davydov
aca8576de4 trilinos: switch to github url; fix missing py-numpy dependency 2016-08-23 10:50:08 +02:00
Todd Gamblin
e81f3daa28 Merge pull request #1519 from mathstuf/fix-deptypes 
Fix deptypes
 2016-08-22 21:40:25 -07:00
Erik Schnetter
7b49166f9b Update gcc to @6.2.0 
Also add some missing older version.
Update download location to original GNU location.
 2016-08-22 20:26:54 -04:00
Denis Davydov
a44beee172 nwchem: add new package 2016-08-23 02:22:44 +02:00
Andrew Williams
65abd279cd Renamed intelmpi as suggested 2016-08-22 13:44:21 +01:00
Andrew Williams
87d15212eb Cleaned branch to only include plumed package 2016-08-22 12:30:17 +01:00
Andrew Williams
226d4f04f3 Spelling tweaks and consistent quoting 2016-08-22 12:09:50 +01:00
Andrew Williams
5661afa315 Passed flake8 tests 2016-08-22 12:03:47 +01:00
Andrew Williams
0c8462723b Found upstream plumed package and modified this one to match 2016-08-22 11:24:03 +01:00
Erik Schnetter
78685addbb hdf5-blosc: Correct download url 2016-08-21 14:39:54 -04:00
Todd Gamblin
55b1182a4c Merge pull request #1554 from eschnett/eschnett/hdf5-blosc 
hdf5-blosc: Remove commit id from version specification
 2016-08-21 09:44:25 -07:00
Adam J. Stewart
d5903e4612 Flake8 2016-08-19 17:06:34 -05:00
Adam J. Stewart
f0f2c6c486 Add latest version of fftw 2016-08-19 17:05:14 -05:00
Erik Schnetter
466da3afcc Remove commented-out outdated commit id 2016-08-19 11:52:40 -04:00
Andrew Williams
90e5ccd98c Cleaned up commented out code in intelmpi package 2016-08-19 15:01:46 +01:00
Andrew Williams
13f636ec68 Added required arguments to get plumed to build with intelmpi 2016-08-19 15:00:21 +01:00
Stephen Herbein
3445a781eb py-cffi: set LDSHARED env so that rpath is set 
py-cffi's .so was being built without the rpath being set.  distutils
looks at the LDSHARED for which compiler to use to build the final .so.
Since it was not set, distutils fell back to the system provided
compiler.  Setting it forces the shared library to be compiled with the
spack compiler (meaning that the rpath is set correctly).
 2016-08-18 11:32:19 -07:00
Andrew Williams
6641f42417 Not compiling due to mpi error. Also getting this error from the command line so could be separate issue. Otherwise package definition first draft complete. 2016-08-18 13:19:36 +01:00
Erik Schnetter
296212d78d hdf5-blosc: Remove commit id from version specification 
The respective commit seems to have vanished.
Now using the master branch without specifying a particular commit.
 2016-08-17 16:36:33 -04:00
Andrew Williams
b99e945e6d Added variants and dependencies to plumed but I'm getting an error when trying to resolve mpi to a valid virtual package 2016-08-17 15:43:59 +01:00
becker33
7f57405eac Merge pull request #1531 from davydden/pkg/ape 
ape: add new package
 2016-08-16 10:52:27 -07:00
becker33
e8afbfbce7 Merge pull request #1530 from davydden/pkg/octopus 
octopus: new package
 2016-08-16 10:49:41 -07:00