Commits · 0c00acd2a44f87bb8d68545628cf869f81ad1833 · tsoc / openmm · GitLab

08 Jul, 2014 3 commits
- Merge pull request #509 from jchodera/conda-dev-travis-ci · 0c00acd2
  peastman authored Jul 08, 2014
```
Automated conda packaging of openmm-dev [ready to merge]
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  0c00acd2
- Merge pull request #506 from peastman/forcefield · b2212517
  peastman authored Jul 08, 2014
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Began creating API for programmatically building and editing ForceFields
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  b2212517
- Merge pull request #507 from swails/minor_fixes · e62739d2
  peastman authored Jul 08, 2014
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Small fixes:
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  e62739d2
07 Jul, 2014 4 commits
- Fix a bug in which the switching function would not get toggled if requested via · 11877204
  Jason Swails authored Jul 07, 2014
```
the switchDistance argument to CharmmPsfFile.createSystem().

Also add a check to protect against negative switching distances.
```
  11877204
- Corrected spelling of "success" in `tools/ci/after_sucess.sh`. · ad2d8b69
  John Chodera (MSKCC) authored Jul 07, 2014
  
  ad2d8b69
- Added comment for OpenCL test exclusion in conda recipe build.sh · 03aa1a95
  John Chodera (MSKCC) authored Jul 07, 2014
  
  03aa1a95
- Switched compiler to clang++ in travis-ci · df1aa30e
  John Chodera (MSKCC) authored Jul 07, 2014
  
  df1aa30e
06 Jul, 2014 1 commit
- Fixed error in copy of test files. · 309d12e7
  John Chodera (MSKCC) authored Jul 05, 2014
  
  309d12e7
05 Jul, 2014 15 commits
- Fixed pathing error. · 50e017e1
  John Chodera (MSKCC) authored Jul 05, 2014
  
  50e017e1
- Trivial change to trigger rebuild. · b63b84a7
  John Chodera (MSKCC) authored Jul 05, 2014
  
  b63b84a7
- Minor cleanup. · d837230c
  John Chodera (MSKCC) authored Jul 05, 2014
  
  d837230c
- Removed debug code from UTF-8 test to clean up. · 6f290210
  John Chodera (MSKCC) authored Jul 05, 2014
  
  6f290210
- Changed platform used in UTF-8 test. · f1599c79
  John Chodera (MSKCC) authored Jul 05, 2014
  
  f1599c79
- Debugging UTF-8 issue. · 7c81f1b7
  John Chodera (MSKCC) authored Jul 05, 2014
  
  7c81f1b7
- Moved Python tests to be run after conda build/install. · aadc7962
  John Chodera (MSKCC) authored Jul 05, 2014
  
  aadc7962
- Added numpy to build requirements (for testing) and set OPENMM_PLUGIN_DIR to... · d094b356
  John Chodera (MSKCC) authored Jul 05, 2014
```
Added numpy to build requirements (for testing) and set OPENMM_PLUGIN_DIR to enable locating imports.
```
  d094b356
- Added nose requirement to conda build requirements to enable Python testing. · 8873d0c5
  John Chodera (MSKCC) authored Jul 05, 2014
  
  8873d0c5
- New testing strategy: Move tests into build.sh · dc880129
  John Chodera (MSKCC) authored Jul 05, 2014
  
  dc880129
- Disabled copying of Test* files. · 8e320f71
  John Chodera (MSKCC) authored Jul 05, 2014
  
  8e320f71
- Fixed error in testing block of meta.yaml · e1d7fbb2
  John Chodera (MSKCC) authored Jul 05, 2014
  
  e1d7fbb2
- It seems jinja2 is required now. · d0a3f9a8
  John Chodera (MSKCC) authored Jul 05, 2014
  
  d0a3f9a8
- Moved testing to conda recipe. · ae133ef8
  John Chodera (MSKCC) authored Jul 05, 2014
  
  ae133ef8
- Now try to install OpenMM tests as well (though these may need to be placed in... · e74d1d9d
  John Chodera (MSKCC) authored Jul 05, 2014
```
Now try to install OpenMM tests as well (though these may need to be placed in a subdirectory or have `OpenMM` inserted into their names).
Also try to get more debug information to make C tests run.
```
  e74d1d9d
04 Jul, 2014 17 commits
- Restored parallel conda build; attempting to add C tests. · ec43cdcc
  John Chodera (MSKCC) authored Jul 04, 2014
  
  ec43cdcc
- Testing what happens if I comment out OpenCL library path. · bb87353a
  John Chodera (MSKCC) authored Jul 04, 2014
  
  bb87353a
- Updated conda build script to get more understandable errors. · 9e8ffb8b
  John Chodera (MSKCC) authored Jul 04, 2014
  
  9e8ffb8b
- Added prerequisites for OpenCL build from PR #501 · a708bbe5
  John Chodera (MSKCC) authored Jul 04, 2014
  
  a708bbe5
- One more try at BINSTAR_TOKEN · cb0ae089
  John Chodera (MSKCC) authored Jul 04, 2014
  
  cb0ae089
- Updated encrypted binstar token. · c18dd0af
  John Chodera (MSKCC) authored Jul 04, 2014
  
  c18dd0af
- Fixed error in after_success.sh script. · ff390d85
  John Chodera (MSKCC) authored Jul 04, 2014
  
  ff390d85
- Restore directory after Python tests. · 16e69ca9
  John Chodera (MSKCC) authored Jul 04, 2014
  
  16e69ca9
- Disabled python 3.3 in build matrix because it didn't seem to be working yet. · b1dc8fda
  John Chodera (MSKCC) authored Jul 04, 2014
  
  b1dc8fda
- Fixed binstar token; updated directory to run nosetests. · df856122
  John Chodera (MSKCC) authored Jul 03, 2014
  
  df856122
- Updated nosetests to match original .travis.yaml · 3c8fbeb2
  John Chodera (MSKCC) authored Jul 03, 2014
  
  3c8fbeb2
- Trying again with source directory. · a5647754
  John Chodera (MSKCC) authored Jul 03, 2014
  
  a5647754
- Updated build.sh to change to source directory first. · 5f3f7790
  John Chodera (MSKCC) authored Jul 03, 2014
  
  5f3f7790
- Fixed conda build.sh to build current source version, rather than online version. · 3ce0b4c9
  John Chodera (MSKCC) authored Jul 03, 2014
  
  3ce0b4c9
- Updated preinstall script with more prereqs. · 01494ff9
  John Chodera (MSKCC) authored Jul 03, 2014
  
  01494ff9
- Added conda recipe patch dir. · c5e11138
  John Chodera (MSKCC) authored Jul 03, 2014
  
  c5e11138
- Updated .travis.yml · acd93197
  John Chodera (MSKCC) authored Jul 03, 2014
  
  acd93197