diff --git a/appveyor.yml b/appveyor.yml index 87a4490..656210f 100644 --- a/appveyor.yml +++ b/appveyor.yml @@ -47,15 +47,16 @@ environment: - PYTHON: "C:\\Miniconda3-x64" CONDA_PY: "37" PYTHON_VERSION: "3.7.x" - PYTHON_ARCH: "67" + PYTHON_ARCH: "64" install: - - cmd: call .\\devtools\\appveyor\\install_cuda.cmd + - cmd: call .\\devtools\\appveyor\\install_cuda100.cmd - "SET PATH=%PYTHON%;%PYTHON%\\Scripts;%PATH%" - - conda update -yq --all - - conda install -yq conda==4.3.34 conda-build==2.1.17 jinja2 anaconda-client - conda config --add channels omnia - conda config --add channels conda-forge + - conda update -yq --all + #- conda install -yq conda==4.3.34 conda-build==2.1.17 jinja2 anaconda-client + - conda install -yq conda-build jinja2 anaconda-client - powershell .\\devtools\\appveyor\\missing-headers.ps1 # conda-build for some inane reason, effectively puts C:\cygwin\bin at the # front of the PATH, ahead of everything else, regardless. See diff --git a/conda-build-all b/conda-build-all index b87787a..26a9909 100755 --- a/conda-build-all +++ b/conda-build-all @@ -102,7 +102,7 @@ def main(): '--numpy', help="Set the NumPy version used by conda build", metavar="NUMPY_VER", - default='1.13,1.14,1.15', + default='1.14,1.15', ) p.add_argument( '-v', '--verbose', diff --git a/devtools/appveyor/install_cuda.cmd b/devtools/appveyor/install_cuda100.cmd similarity index 91% rename from devtools/appveyor/install_cuda.cmd rename to devtools/appveyor/install_cuda100.cmd index 5314b7e..ea47660 100644 --- a/devtools/appveyor/install_cuda.cmd +++ b/devtools/appveyor/install_cuda100.cmd @@ -27,6 +27,7 @@ dir "C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA" dir "C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA\v10.0" dir "C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA\v10.0\bin" dir "C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA\v10.0\lib" +dir "C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA\v10.0\lib\x64" if NOT EXIST "%ProgramFiles%\NVIDIA GPU Computing Toolkit\CUDA\v10.0\bin\cudart64_100.dll" ( echo "Failed to install CUDA" @@ -34,7 +35,7 @@ exit /B 1 ) set PATH=%ProgramFiles%\NVIDIA GPU Computing Toolkit\CUDA\v10.0\bin;%ProgramFiles%\NVIDIA GPU Computing Toolkit\CUDA\v10.0\libnvvp;%PATH% -set CUDA_VERSION="10.0" -set CUDA_SHORT_VERSION="100" +set CUDA_VERSION=10.0 +set CUDA_SHORT_VERSION=100 nvcc -V diff --git a/openmm/bld.bat b/openmm/bld.bat index 62d829d..afa63f7 100644 --- a/openmm/bld.bat +++ b/openmm/bld.bat @@ -2,10 +2,9 @@ mkdir build 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/v9.2 +set CUDASDK=C:/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v10.0 "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" ^ + -DOPENCL_INCLUDE_DIR="%CUDASDK%\include" -DOPENCL_LIBRARY="%CUDASDK%\lib\x64\OpenCL.lib" ^ -DFFTW_INCLUDES="%FFTW%/include" -DFFTW_LIBRARY="%FFTW%/lib/libfftw3f-3.lib" -DCUDA_TOOLKIT_ROOT_DIR="%CUDASDK%" jom install @@ -20,4 +19,4 @@ robocopy %PREFIX%\docs openmm-docs * /e /move mkdir %PREFIX%\docs move openmm-docs %PREFIX%\docs\openmm mkdir %PREFIX%\share\openmm -move %PREFIX%\examples %PREFIX%\share\openmm \ No newline at end of file +move %PREFIX%\examples %PREFIX%\share\openmm diff --git a/openmm/meta.yaml b/openmm/meta.yaml index 7b4c423..3176a26 100644 --- a/openmm/meta.yaml +++ b/openmm/meta.yaml @@ -12,12 +12,11 @@ source: - silent-latexpdf.patch extra: - upload: rccuda{{ CUDA_SHORT_VERSION }}{{ ",rc" if CUDA_SHORT_VERSION == "92" else ""}} + upload: rccuda{{ CUDA_SHORT_VERSION }}{{ ",rc" if CUDA_SHORT_VERSION == "100" else ""}} force_upload: False build: number: 0 - skip: True # [win] detect_binary_files_with_prefix: False string: py{{py}}_cuda{{ CUDA_SHORT_VERSION }}_rc_1 #features: