Derek Ashley Thomas derekbrokeit
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| diff --git a/src/MAKE/Makefile.mac b/src/MAKE/Makefile.mac | |
| index 42f5882..2f0f42a 100755 | |
| --- a/src/MAKE/Makefile.mac | |
| +++ b/src/MAKE/Makefile.mac | |
| @@ -6,18 +6,18 @@ SHELL = /bin/sh | |
| # compiler/linker settings | |
| # specify flags and libraries needed for your compiler | |
| -CC = c++ | |
| -CCFLAGS = -O |
derekbrokeit
/ lammps_explicit_library_location_call.diff
Created
January 9, 2013 10:49
Explicitly call the library based on the homebrew prefix location. This is best for users who do not use the standard homebrew installation directory.
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| diff --git a/python/lammps.py b/python/lammps.py | |
| index c65e84c..b2b28a2 100644 | |
| --- a/python/lammps.py | |
| +++ b/python/lammps.py | |
| @@ -23,8 +23,8 @@ class lammps: | |
| # if name = "g++", load liblammps_g++.so | |
| try: | |
| - if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL) | |
| - else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL) |
derekbrokeit
/ variable_env.diff
Created
January 29, 2013 07:37
Add "environment" style to variables. Allows the user to import variables directly from the environment. It should be noted that this was just an experiment. I have since found that the `-v` commandline flag is the best way to do this. The problem with environment variables here is that 1) it does not handle array data well `export blah=(1 2 3)`…
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| diff --git a/src/variable.cpp b/src/variable.cpp | |
| index d60accc..b52220c 100644 | |
| --- a/src/variable.cpp | |
| +++ b/src/variable.cpp | |
| @@ -43,7 +43,7 @@ using namespace MathConst; | |
| #define MYROUND(a) (( a-floor(a) ) >= .5) ? ceil(a) : floor(a) | |
| -enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,FILEVAR,EQUAL,ATOM}; | |
| +enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,FILEVAR,EQUAL,ATOM,ENVIRONMENT}; |
derekbrokeit
/ user-omp_bsd.patch
Created
February 12, 2013 02:18
Building LAMMPS with the USER-OMP package is broken in lammps-11Feb13 because of the difference between GNU sed and BSD sed.
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| diff --git a/src/USER-OMP/Install.sh b/src/USER-OMP/Install.sh | |
| old mode 100644 | |
| new mode 100755 | |
| index b37fd00..dd87e8b | |
| --- a/src/USER-OMP/Install.sh | |
| +++ b/src/USER-OMP/Install.sh | |
| @@ -4,7 +4,7 @@ | |
| # do not install child files if parent does not exist | |
| for file in *_omp.cpp *_omp.h ; do |
derekbrokeit
/ pymol_disable_vmd_plugin.diff
Created
February 16, 2013 09:47
Disable VMD plugin in pymol
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| diff --git a/setup.py b/setup.py | |
| index b8d7070..46d9087 100644 | |
| --- a/setup.py | |
| +++ b/setup.py | |
| @@ -118,7 +118,7 @@ lib_dirs = [] | |
| ext_comp_args = [] | |
| ext_link_args = [] | |
| -if True: | |
| +if False: |
derekbrokeit
/ povray_install_failure
Created
February 25, 2013 05:50
Homebrew povray installation failure
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| ==> Downloading http://www.povray.org/beta/source/povray-3.7.0.RC6.tar.gz | |
| Already downloaded: /Library/Caches/Homebrew/povray-3.7.0.RC6.tar.gz | |
| /usr/bin/tar xf /Library/Caches/Homebrew/povray-3.7.0.RC6.tar.gz | |
| ==> Downloading patches | |
| /usr/bin/curl -f#LA Homebrew 0.9.4 (Ruby 1.8.7-358; Mac OS X 10.8.2) https://trac.macports.org/export/102440/trunk/dports/graphics/povray/files/patch-boost-1.50.diff -o 000-homebrew.diff https://trac.macports.org/export/102440/trunk/dports/graphics/povray/files/patch-configure-stat.diff -o 001-homebrew.diff https://trac.macports.org/export/102440/trunk/dports/graphics/povray/files/patch-lseek64.diff -o 002-homebrew.diff https://trac.macports.org/export/102440/trunk/dports/graphics/povray/files/patch-vfe-uint.diff -o 003-homebrew.diff --silent | |
| ==> Patching | |
| /usr/bin/patch -f -p0 -i 000-homebrew.diff | |
| patching file source/backend/scene/view.cpp | |
| patching file source/base/timer.cpp | |
| patching file vfe/unix/platformbase.cpp |
derekbrokeit
/ python_disable_x11_lib.diff
Created
April 16, 2013 08:09
Disable automatically linking to x11 in python installation.
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| diff --git a/setup.py b/setup.py | |
| index ea8a5f5..5460fb9 100644 | |
| --- a/setup.py | |
| +++ b/setup.py | |
| @@ -1897,8 +1897,8 @@ class PyBuildExt(build_ext): | |
| libs.append('ld') | |
| # Finally, link with the X11 libraries (not appropriate on cygwin) | |
| - if host_platform != "cygwin": | |
| - libs.append('X11') |
derekbrokeit
/ torch7_serial.rb
Created
May 24, 2013 08:14
A homebrew formula copy of torch7 that builds without OpenMP support. Additionally, it builds with significantly reduced dependencies.
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| require 'formula' | |
| class Torch7 < Formula | |
| homepage 'http://www.torch.ch/' | |
| head 'https://github.com/andresy/torch.git' | |
| url 'https://github.com/andresy/torch/archive/7.0.3-0.zip' | |
| version '7.0.3-0' | |
| sha1 'd455003b3f632ffd5062f98de774479c1de57607' | |
| depends_on 'cmake' => :build |
derekbrokeit
/ lammps_airebo_test.diff
Created
June 13, 2013 04:10
Testing extent to which airebo can be modified for better graphite
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| diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp | |
| index 6e1edb1..1d491d0 100644 | |
| --- a/src/MANYBODY/pair_airebo.cpp | |
| +++ b/src/MANYBODY/pair_airebo.cpp | |
| @@ -709,6 +709,9 @@ void PairAIREBO::FLJ(int eflag, int vflag) | |
| rljmax = sigcut * rljmin; | |
| rljmin = sigmin * rljmin; | |
| + rljmin = 3.816370964251868; | |
| + rljmax = cutlj * sigma[itype][jtype]; |
derekbrokeit
/ h5py_failed_tests.log
Created
July 17, 2013 00:07
h5py failure on opensuse. hdf5 (1.8.11) and python (2.7.4) built by linuxbrew Same as: https://github.com/h5py/h5py/issues/304
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| ...........................................sss...............................................E.....EFF..F....F.Es.......................................................................................x............................................. | |
| ====================================================================== | |
| ERROR: test_create_scale (h5py._hl.tests.test_dimension_scales.TestDimensionManager) | |
| ---------------------------------------------------------------------- | |
| Traceback (most recent call last): | |
| File "/home/derekt/.linuxbrew/lib/python2.7/site-packages/h5py/_hl/tests/test_dimension_scales.py", line 101, in test_create_scale | |
| self.assertEqual(self.f['data'].dims[2]['foobar'], self.f['x1']) | |
| File "/home/derekt/.linuxbrew/lib/python2.7/site-packages/h5py/_hl/dims.py", line 54, in __getitem__ | |
| raise KeyError('%s not found' % item) | |
| KeyError: 'foobar not found' |