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Updates for OpenMM 7.3 beta #911

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Updates for OpenMM 7.3 beta #911

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2 changes: 1 addition & 1 deletion openmm/bld.bat
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Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ cd build

set FFTW=C:\Miniconda3\pkgs\fftw3f-3.3.4-vc14_2\Library
set APPSDK=C:\Program Files (x86)\AMD APP SDK\2.9-1
set CUDASDK=C:/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v9.0
set CUDASDK=C:/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v9.2
"C:\Program Files\CMake\bin\cmake.exe" .. -G "NMake Makefiles JOM" -DCMAKE_INSTALL_PREFIX=%PREFIX% -DCMAKE_BUILD_TYPE=Release -DOPENMM_GENERATE_API_DOCS=ON ^
-DOPENCL_INCLUDE_DIR="%APPSDK%\include" -DOPENCL_LIBRARY="%APPSDK%\lib\x86_64\OpenCL.lib" ^
-DFFTW_INCLUDES="%FFTW%/include" -DFFTW_LIBRARY="%FFTW%/lib/libfftw3f-3.lib" -DCUDA_TOOLKIT_ROOT_DIR="%CUDASDK%"
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11 changes: 6 additions & 5 deletions openmm/meta.yaml
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@@ -1,18 +1,18 @@
package:
name: openmm
version: 7.2.2
version: 7.3.0

source:
git_url: https://github.com/pandegroup/openmm.git
git_tag: 32bc79a
git_tag: 10aba26


build:
number: 1
skip: True # [win]

extra:
upload: rc
upload: beta
force_upload: False

requirements:
Expand All @@ -23,13 +23,14 @@ requirements:
- python
# Pin fftw3f to 3.3.3 to work around OSX py34 issues
- fftw3f ==3.3.3 [osx]
- fftw3f ==3.3.4 [win or linux]
- fftw3f ==3.3.4 [linux]
- fftw3f ==3.3.4=vc14_2 [win]
# swig is pinned to use omnia swig 3.0.8
- swig ==3.0.8
# on osx, need to install doxygen manually
- doxygen [not osx]
# for building docs
- sphinx ==1.5.6
- sphinx
- sphinxcontrib-bibtex
- sphinxcontrib-lunrsearch
- sphinxcontrib-autodoc_doxygen
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4 changes: 2 additions & 2 deletions openmm/run_test.py
100755 → 100644
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Expand Up @@ -4,7 +4,7 @@

# Check major version number
# If Z=0 for version X.Y.Z, out put is "X.Y"
assert openmm.Platform.getOpenMMVersion() == '7.2.2', "openmm.Platform.getOpenMMVersion() = %s" % openmm.Platform.getOpenMMVersion()
assert openmm.Platform.getOpenMMVersion() == '7.3', "openmm.Platform.getOpenMMVersion() = %s" % openmm.Platform.getOpenMMVersion()

# Check git hash
assert openmm.version.git_revision == '32bc79aa35da5495c9947ba817cb956964d63a4b', "openmm.version.git_revision = %s" % openmm.version.git_revision
assert openmm.version.git_revision == '10aba26a12f2d1411cd7800978bdc1af7ee60677', "openmm.version.git_revision = %s" % openmm.version.git_revision