Todd Gamblin
63859bf113
Merge pull request #1575 from davydden/pkg/nwchem
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nwchem: add new package
2016-08-24 08:49:11 -07:00
Todd Gamblin
5cfa74801f
Merge pull request #1565 from adamjstewart/features/fftw
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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
citibeth
8a481e7e13
Added CMake-based Development case study to docuemntation.
2016-08-23 16:39:01 -04:00
Elizabeth F
86d39255ec
Explained url_for_version()
2016-08-23 16:39:01 -04:00
citibeth
2efd7a5e0b
Added note on use of 'less -R' for colorized output.
2016-08-23 16:36:02 -04:00
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
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- 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
Todd Gamblin
de12a34415
Merge pull request #1586 from davidbeckingsale/patch-1
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Ensure RAJA builds out-of-source
2016-08-23 08:55:50 -07:00
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
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Fix deptypes
2016-08-22 21:40:25 -07:00
Erik Schnetter
7b49166f9b
Update gcc to @6.2.0
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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
4b354cbe26
Merge pull request #1 from ARCCA/plumed
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Plumed
2016-08-22 12:15:35 +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
Todd Gamblin
fbe76c41fd
Merge pull request #1570 from eschnett/eschnett/hdf5-blosc-2
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hdf5-blosc: Correct download url
2016-08-21 12:12:09 -07:00
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
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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
Gregory L. Lee
a177b9be8a
updated stat 3.0.0b url
2016-08-19 13:11:21 -07:00
Adam J. Stewart
df623dad15
Suggest setuptools when creating Python package
2016-08-19 14:31:42 -05:00
Adam J. Stewart
835b8f246e
py-sphinx requires py-setuptools during runtime
2016-08-19 14:20:31 -05:00
Adam J. Stewart
d7873b5319
Swap lowercase for uppercase in URL
2016-08-19 14:00:50 -05:00
Adam J. Stewart
c1af0d3806
Fix binary conflicts during sphinx activation
2016-08-19 13:54:22 -05:00
Adam J. Stewart
d4e3699510
Add all Sphinx dependencies
2016-08-19 13:44:00 -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
Adam J. Stewart
28537ae7b7
Workaround until variant forwarding works properly
2016-08-18 14:40:21 -05:00
Tom Scogland
c8dd1bb40b
Merge pull request #1527 from SteVwonder/py-cffi-rpath-fix
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py-cffi: set LDSHARED in env so that rpath is set
2016-08-18 11:55:40 -07:00
Stephen Herbein
3445a781eb
py-cffi: set LDSHARED env so that rpath is set
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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
