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tsoc
openmm
Commits
9335b8e2
Unverified
Commit
9335b8e2
authored
Oct 15, 2024
by
Peter Eastman
Committed by
GitHub
Oct 15, 2024
Browse files
Updated Python versions for CI (#4694)
* Updated Python versions for CI * Install setuptools
parent
ffb3082f
Changes
7
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7 changed files
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30 additions
and
24 deletions
+30
-24
.github/workflows/CI.yml
.github/workflows/CI.yml
+24
-24
devtools/ci/gh-actions/conda-envs/build-macos.yml
devtools/ci/gh-actions/conda-envs/build-macos.yml
+1
-0
devtools/ci/gh-actions/conda-envs/build-ubuntu-latest-hip.yml
...ools/ci/gh-actions/conda-envs/build-ubuntu-latest-hip.yml
+1
-0
devtools/ci/gh-actions/conda-envs/build-ubuntu-latest.yml
devtools/ci/gh-actions/conda-envs/build-ubuntu-latest.yml
+1
-0
devtools/ci/gh-actions/conda-envs/build-ubuntu-pypy.yml
devtools/ci/gh-actions/conda-envs/build-ubuntu-pypy.yml
+1
-0
devtools/ci/gh-actions/conda-envs/build-windows-latest.yml
devtools/ci/gh-actions/conda-envs/build-windows-latest.yml
+1
-0
devtools/ci/gh-actions/conda-envs/docs.yml
devtools/ci/gh-actions/conda-envs/docs.yml
+1
-0
No files found.
.github/workflows/CI.yml
View file @
9335b8e2
...
@@ -31,7 +31,7 @@ jobs:
...
@@ -31,7 +31,7 @@ jobs:
-
name
:
Linux CUDA
12.4
-
name
:
Linux CUDA
12.4
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
cuda-version
:
"
12.4"
cuda-version
:
"
12.4"
OPENCL
:
false
OPENCL
:
false
CMAKE_FLAGS
:
|
CMAKE_FLAGS
:
|
...
@@ -52,7 +52,7 @@ jobs:
...
@@ -52,7 +52,7 @@ jobs:
-
name
:
Linux CUDA
11.8
-
name
:
Linux CUDA
11.8
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
OPENCL
:
false
OPENCL
:
false
cuda-version
:
"
11.8"
cuda-version
:
"
11.8"
CMAKE_FLAGS
:
|
CMAKE_FLAGS
:
|
...
@@ -73,7 +73,7 @@ jobs:
...
@@ -73,7 +73,7 @@ jobs:
-
name
:
Linux AMD OpenCL
-
name
:
Linux AMD OpenCL
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
OPENCL
:
true
OPENCL
:
true
cuda-version
:
"
"
cuda-version
:
"
"
CMAKE_FLAGS
:
|
CMAKE_FLAGS
:
|
...
@@ -94,7 +94,7 @@ jobs:
...
@@ -94,7 +94,7 @@ jobs:
-
name
:
Linux HIP
-
name
:
Linux HIP
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest-hip
env
:
ubuntu-latest-hip
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
OPENCL
:
false
OPENCL
:
false
CMAKE_FLAGS
:
|
CMAKE_FLAGS
:
|
-DOPENMM_BUILD_HIP_LIB=ON \
-DOPENMM_BUILD_HIP_LIB=ON \
...
@@ -106,10 +106,10 @@ jobs:
...
@@ -106,10 +106,10 @@ jobs:
-DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=OFF \
-DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=OFF \
-DOPENMM_BUILD_EXAMPLES=OFF
-DOPENMM_BUILD_EXAMPLES=OFF
-
name
:
Linux CPU Python 3.1
1
with static lib
-
name
:
Linux CPU Python 3.1
3
with static lib
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
OPENCL
:
false
OPENCL
:
false
cuda-version
:
"
"
cuda-version
:
"
"
CC
:
$CCACHE/clang
CC
:
$CCACHE/clang
...
@@ -119,8 +119,8 @@ jobs:
...
@@ -119,8 +119,8 @@ jobs:
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-
name
:
Linux CPU Python 3.1
1
with condaforge compilers
-
name
:
Linux CPU Python 3.1
3
with condaforge compilers
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
OPENCL
:
false
OPENCL
:
false
...
@@ -130,8 +130,8 @@ jobs:
...
@@ -130,8 +130,8 @@ jobs:
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-
name
:
Linux CPU Python
3.
9
-
name
:
Linux CPU Python
3.
10
python-version
:
"
3.
9
"
python-version
:
"
3.
10
"
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
OPENCL
:
false
OPENCL
:
false
...
@@ -140,8 +140,8 @@ jobs:
...
@@ -140,8 +140,8 @@ jobs:
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-
name
:
Linux CPU Python
3.1
1
-
name
:
Linux CPU Python
3.1
3
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
os
:
ubuntu-latest
os
:
ubuntu-latest
env
:
ubuntu-latest
env
:
ubuntu-latest
OPENCL
:
false
OPENCL
:
false
...
@@ -160,8 +160,8 @@ jobs:
...
@@ -160,8 +160,8 @@ jobs:
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_LIB=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-
name
:
MacOS Intel Python
3.1
1
-
name
:
MacOS Intel Python
3.1
3
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
os
:
macos-13
os
:
macos-13
env
:
macos
env
:
macos
OPENCL
:
false
OPENCL
:
false
...
@@ -170,8 +170,8 @@ jobs:
...
@@ -170,8 +170,8 @@ jobs:
-DOPENMM_BUILD_OPENCL_LIB=ON \
-DOPENMM_BUILD_OPENCL_LIB=ON \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-DOPENMM_BUILD_OPENCL_TESTS=OFF \
-
name
:
MacOS ARM Python
3.1
1
-
name
:
MacOS ARM Python
3.1
3
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
os
:
macos-latest
os
:
macos-latest
env
:
macos
env
:
macos
OPENCL
:
false
OPENCL
:
false
...
@@ -326,8 +326,8 @@ jobs:
...
@@ -326,8 +326,8 @@ jobs:
fail-fast
:
false
fail-fast
:
false
matrix
:
matrix
:
include
:
include
:
-
name
:
Windows CUDA 11.2 Python
3.1
1
-
name
:
Windows CUDA 11.2 Python
3.1
3
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
cuda-version
:
"
11.2"
cuda-version
:
"
11.2"
CMAKE_FLAGS
:
|
CMAKE_FLAGS
:
|
-DCUDA_TOOLKIT_ROOT_DIR="%CUDA_TOOLKIT_ROOT_DIR%" ^
-DCUDA_TOOLKIT_ROOT_DIR="%CUDA_TOOLKIT_ROOT_DIR%" ^
...
@@ -461,19 +461,19 @@ jobs:
...
@@ -461,19 +461,19 @@ jobs:
fail-fast
:
false
fail-fast
:
false
matrix
:
matrix
:
include
:
include
:
-
name
:
PowerPC CPU/CUDA 10.2 Python 3.1
1
with condaforge compilers
-
name
:
PowerPC CPU/CUDA 10.2 Python 3.1
3
with condaforge compilers
docker-image
:
quay.io/condaforge/linux-anvil-ppc64le-cuda:10.2
docker-image
:
quay.io/condaforge/linux-anvil-ppc64le-cuda:10.2
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
compilers
:
compilers
compilers
:
compilers
#- name: PowerPC CPU Python 3.1
1
devtoolset-7 compilers
#- name: PowerPC CPU Python 3.1
3
devtoolset-7 compilers
# docker-image: quay.io/condaforge/linux-anvil-ppc64le
# docker-image: quay.io/condaforge/linux-anvil-ppc64le
# python-version: "3.1
1
"
# python-version: "3.1
3
"
# compilers: devtoolset-7
# compilers: devtoolset-7
-
name
:
ARM CPU Python 3.1
1
with condaforge compilers
-
name
:
ARM CPU Python 3.1
3
with condaforge compilers
docker-image
:
quay.io/condaforge/linux-anvil-aarch64
docker-image
:
quay.io/condaforge/linux-anvil-aarch64
python-version
:
"
3.1
1
"
python-version
:
"
3.1
3
"
compilers
:
compilers
compilers
:
compilers
...
...
devtools/ci/gh-actions/conda-envs/build-macos.yml
View file @
9335b8e2
...
@@ -12,6 +12,7 @@ dependencies:
...
@@ -12,6 +12,7 @@ dependencies:
-
swig
-
swig
-
numpy
-
numpy
-
doxygen
-
doxygen
-
setuptools
# test
# test
-
pytest
-
pytest
-
pytest-xdist
-
pytest-xdist
...
...
devtools/ci/gh-actions/conda-envs/build-ubuntu-latest-hip.yml
View file @
9335b8e2
...
@@ -10,6 +10,7 @@ dependencies:
...
@@ -10,6 +10,7 @@ dependencies:
# host
# host
-
python
-
python
-
doxygen
-
doxygen
-
setuptools
-
hip-devel
-
hip-devel
-
hipcc
-
hipcc
-
rocm-cmake
-
rocm-cmake
...
...
devtools/ci/gh-actions/conda-envs/build-ubuntu-latest.yml
View file @
9335b8e2
...
@@ -15,6 +15,7 @@ dependencies:
...
@@ -15,6 +15,7 @@ dependencies:
-
numpy
-
numpy
-
ocl-icd-system
-
ocl-icd-system
-
doxygen
-
doxygen
-
setuptools
# test
# test
-
pytest
-
pytest
-
pytest-xdist
-
pytest-xdist
...
...
devtools/ci/gh-actions/conda-envs/build-ubuntu-pypy.yml
View file @
9335b8e2
...
@@ -15,6 +15,7 @@ dependencies:
...
@@ -15,6 +15,7 @@ dependencies:
-
numpy
-
numpy
-
ocl-icd-system
-
ocl-icd-system
-
doxygen
-
doxygen
-
setuptools
# test
# test
-
pytest
-
pytest
-
pytest-xdist
-
pytest-xdist
...
...
devtools/ci/gh-actions/conda-envs/build-windows-latest.yml
View file @
9335b8e2
...
@@ -14,6 +14,7 @@ dependencies:
...
@@ -14,6 +14,7 @@ dependencies:
-
swig
-
swig
-
numpy
-
numpy
-
doxygen
-
doxygen
-
setuptools
-
khronos-opencl-icd-loader
-
khronos-opencl-icd-loader
# test
# test
-
pytest
-
pytest
...
...
devtools/ci/gh-actions/conda-envs/docs.yml
View file @
9335b8e2
...
@@ -12,6 +12,7 @@ dependencies:
...
@@ -12,6 +12,7 @@ dependencies:
-
cython
-
cython
-
swig
-
swig
-
doxygen
-
doxygen
-
setuptools
-
sphinx==4.0.2
-
sphinx==4.0.2
-
sphinxcontrib-bibtex
-
sphinxcontrib-bibtex
-
breathe>=4.30,<5.0
-
breathe>=4.30,<5.0
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