Commits · 50e017e191e32187e61c965dd084520f99fd1fb2 · tsoc / openmm · GitLab

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 18 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
- Added start of automated conda packaging of openmm-dev. · 326b2385
  John Chodera (MSKCC) authored Jul 03, 2014
  
  326b2385
02 Jul, 2014 4 commits
- Merge pull request #505 from peastman/forcefield · 0ccc5c9e
  peastman authored Jul 02, 2014
```
Added a test case to make sure future changes to ForceField do not change forces
```
  0ccc5c9e
- Made test case more tolerant of numerical differences between platforms · 8d4b23da
  peastman authored Jul 02, 2014
  
  8d4b23da
- Merged upstream changes · a87df3ad
  peastman authored Jul 02, 2014
  
  a87df3ad
- Added a test case to make sure future changes to ForceField do not change forces · 1c604fe4
  peastman authored Jul 02, 2014
  
  1c604fe4
30 Jun, 2014 3 commits
- Merge pull request #502 from peastman/travis · 9db70803
  peastman authored Jun 30, 2014
```
[WIP] experiments to figure out how to get nose running in parallel
```
  9db70803
- Use a newer version of nose in travis script · b802e7ad
  peastman authored Jun 30, 2014
  
  b802e7ad
- Merge pull request #500 from leeping/master · c79a29b3
  peastman authored Jun 30, 2014
```
GromacsTopFile parses define value with one extra leading character
```
  c79a29b3