Tom Scogland
2b6833cb80
appeasing flake8, also cleaning up header
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The header append lines were too long, so I just converted it into a
multi-line string template so it's all one piece now instead of a bunch
of appends.
2016-08-24 11:56:33 -07:00
Tom Scogland
73620fe868
avoid specifying --delim unless required
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This increases portability of generated module files to versions of
environment_modules hearkening back to just after the turn of the
millennium.
2016-08-24 11:00:16 -07:00
Todd Gamblin
e6bac6f208
Merge pull request #1613 from eschnett/eschnett/cmake-update
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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
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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
