Commits · fd473eeaff8bfc826a938e05d34bb9e09a54a89b · tsoc / openmm · GitLab

29 Sep, 2015 1 commit
- Add a test for AmoebaTorsionTorsionForce that fails because stripUnits doesn't · f7e4653a
  Jason Swails authored Sep 18, 2015
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work for the input variable type.
```
  f7e4653a
11 Sep, 2015 1 commit
- modify processAmberForceField.py to resolve the sigma = 0 problems · e060e7c4
  Rafal P. Wiewiora authored Sep 11, 2015
  
  e060e7c4
18 Aug, 2015 1 commit
- Updating scripts to support nucleic acids with AMOEBA · 0a751b5b
  peastman authored Aug 18, 2015
  
  0a751b5b
05 Aug, 2015 1 commit
- Remove unused CI stuff · 6c5e9bdf
  Robert McGibbon authored Aug 04, 2015
  
  6c5e9bdf
14 Jul, 2015 1 commit
- Changed source install manifest to allow us to pick from source distro or... · 88fa7542
  John Chodera (MSKCC) authored Jul 13, 2015
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Changed source install manifest to allow us to pick from source distro or compiled (install/) output.
```
  88fa7542
13 Jul, 2015 1 commit
- Added scripts for source packaging. · 4543bca2
  John Chodera (MSKCC) authored Jul 13, 2015
  
  4543bca2
12 Jul, 2015 1 commit
- Update packaging preparation scripts to use latest miniconda. · a1edc08c
  John Chodera (MSKCC) authored Jul 12, 2015
  
  a1edc08c
11 Jul, 2015 1 commit
- Changes for OpenMM 6.3beta2 · 3be0bf11
  John Chodera (MSKCC) authored Jul 11, 2015
  
  3be0bf11
02 Jul, 2015 1 commit
- Moved install.sh out of harm's way into devtools/packaging and updated binary packaging scripts. · 33f16ded
  John Chodera (MSKCC) authored Jul 01, 2015
  
  33f16ded
26 Jun, 2015 1 commit
- Removed devtools/conda-recipe, since we are now using omnia-md/openmm-dev to... · 4a49afaa
  John Chodera (MSKCC) authored Jun 25, 2015
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Removed devtools/conda-recipe, since we are now using omnia-md/openmm-dev to build conda dev packages.
```
  4a49afaa
10 Jun, 2015 1 commit
- Removed code that disabled OpenCL on OS X packaging. · 47d97e7f
  John Chodera (MSKCC) authored Jun 10, 2015
  
  47d97e7f
05 Jun, 2015 1 commit
- Updated linux build/packaging devtools scripts to use CUDA 7.0 · 2ad2a75b
  John Chodera (MSKCC) authored Jun 05, 2015
  
  2ad2a75b
20 Feb, 2015 1 commit
- Regenerated AMOEBA2013 based on Tinker 7.0.1 · 9f5a02cd
  peastman authored Feb 19, 2015
  
  9f5a02cd
03 Dec, 2014 4 commits
- Removed debugging statements from packaging scripts. · 5030c946
  John Chodera (MSKCC) authored Dec 02, 2014
  
  5030c946
- Minor cleanup in prepare.sh script. · 662eb730
  John Chodera (MSKCC) authored Dec 02, 2014
  
  662eb730
- Build scripts now first remove old install directory. · 741d186d
  John Chodera (MSKCC) authored Dec 02, 2014
  
  741d186d
- Debugging issues with packaging script. · 74d66869
  John Chodera (MSKCC) authored Dec 02, 2014
  
  74d66869
02 Dec, 2014 1 commit
- Modified packaging scripts so that we no longer install Python into lib. · 4fcf2b16
  John Chodera (MSKCC) authored Dec 02, 2014
  
  4fcf2b16
09 Nov, 2014 4 commits
- Hopefully fixed issue with Jenkins linux build script. · 4ad08011
  John Chodera (MSKCC) authored Nov 08, 2014
  
  4ad08011
- Fixing more paths in Jenkins build paths. · 93cd76b3
  John Chodera (MSKCC) authored Nov 08, 2014
  
  93cd76b3
- Tried to fix Jenkins build script Mac autodetection of version number. · 84627987
  John Chodera (MSKCC) authored Nov 08, 2014
  
  84627987
- Added relative workspace path to Jenkins build prepare scripts. · 865364db
  John Chodera (MSKCC) authored Nov 08, 2014
  
  865364db
08 Nov, 2014 17 commits
- Fixed fftw3f library path error in OS X Jenkins build script. · 609b6a51
  John Chodera (MSKCC) authored Nov 08, 2014
  
  609b6a51
- Minor updates to Jenkins prepare scripts. · cd9a442e
  John Chodera (MSKCC) authored Nov 08, 2014
  
  cd9a442e
- Updated Jenkins preparation scripts. · abf0f7ef
  John Chodera (MSKCC) authored Nov 08, 2014
  
  abf0f7ef
- Fixed some path errors with Jenkins build scripts, and added preparation scripts. · db166090
  John Chodera (MSKCC) authored Nov 08, 2014
  
  db166090
- Updated Jenkins build scripts to also build docs. · 438463ed
  John Chodera (MSKCC) authored Nov 08, 2014
  
  438463ed
- More updates to OS X Jenkins build script. · 8e778c6f
  John Chodera (MSKCC) authored Nov 08, 2014
  
  8e778c6f
- Updated OSX build/package scripts for Jenkins. · 4d33ed56
  John Chodera (MSKCC) authored Nov 08, 2014
  
  4d33ed56
- Added miniconda/bin to path for automated build scripts. · 0abd720e
  John Chodera (MSKCC) authored Nov 08, 2014
  
  0abd720e
- Fixed python path for automated build script. · db343579
  John Chodera (MSKCC) authored Nov 08, 2014
  
  db343579
- Minor fix to build script for automated packaging. · 0198503f
  John Chodera (MSKCC) authored Nov 08, 2014
  
  0198503f
- Updated build script for packaging with Linux. · 4e9405a6
  John Chodera (MSKCC) authored Nov 08, 2014
  
  4e9405a6
- Added first drafts of OS X build and packaging scripts. · 81bdf03a
  John Chodera (MSKCC) authored Nov 07, 2014
  
  81bdf03a
- Version number in Linux packaging script is now extracted from CMakeCache.txt (via @peastman). · 3fecf857
  John Chodera (MSKCC) authored Nov 07, 2014
  
  3fecf857
- Made Linux build script executable. · dda50ec8
  John Chodera (MSKCC) authored Nov 07, 2014
  
  dda50ec8
- Added draft build script. · 4b2487f3
  John Chodera (MSKCC) authored Nov 07, 2014
  
  4b2487f3
- Changed Linux packaging script to executable. · 71220e6e
  John Chodera (MSKCC) authored Nov 07, 2014
  
  71220e6e
- Added Linux packaging script. · be7120e4
  John Chodera (MSKCC) authored Nov 07, 2014
  
  be7120e4
07 Nov, 2014 1 commit
- Removed virtual machine. · ea5f9ee7
  kyleabeauchamp authored Nov 07, 2014
  
  ea5f9ee7