adding easyconfigs: Faiss-1.7.4-foss-2023a-CUDA-12.1.1.eb, t-SNE-CUDA…

…-3.0.1-foss-2023a-CUDA-12.1.1.eb and patches: t-SNE-CUDA-3.0.1_avoid-overriding-cuda-compute-capabilities.patch, t-SNE-CUDA-3.0.1_use-external-cxxopts.patch
jfgrimm · Jan 22, 2024 · 667b511 · 667b511
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diff --git a/easybuild/easyconfigs/f/Faiss/Faiss-1.7.4-foss-2023a-CUDA-12.1.1.eb b/easybuild/easyconfigs/f/Faiss/Faiss-1.7.4-foss-2023a-CUDA-12.1.1.eb
@@ -0,0 +1,68 @@
+# Author: Jasper Grimm (UoY)
+easyblock = 'CMakePythonPackage'
+
+name = 'Faiss'
+version = '1.7.4'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://github.com/facebookresearch/faiss'
+description = """
+Faiss is a library for efficient similarity search and clustering of dense
+ vectors. It contains algorithms that search in sets of vectors of any size, up
+ to ones that possibly do not fit in RAM. It also contains supporting code for
+ evaluation and parameter tuning. Faiss is written in C++ with complete
+ wrappers for Python/numpy. Some of the most useful algorithms are implemented
+ on the GPU. It is developed primarily at Meta's Fundamental AI Research group.
+"""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+github_account = 'facebookresearch'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['d9a7b31bf7fd6eb32c10b7ea7ff918160eed5be04fe63bb7b4b4b5f2bbde01ad']
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('SWIG', '4.1.1'),
+]
+
+dependencies = [
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('Python', '3.11.3'),
+    ('PyTorch', '2.1.2', versionsuffix),
+    ('SciPy-bundle', '2023.07'),
+]
+
+_copts = [
+    '-DFAISS_ENABLE_GPU=ON',
+    '-DFAISS_ENABLE_PYTHON=ON',
+    '-DFAISS_ENABLE_C_API=ON',
+    '-DBUILD_TESTING=ON',
+    '-DBUILD_SHARED_LIBS=ON',
+    '-DPython_EXECUTABLE="${EBROOTPYTHON}/bin/python"',
+    '-DCUDAToolkit_ROOT="${CUDA_ROOT}"',
+    '-DCMAKE_CUDA_ARCHITECTURES="%(cuda_cc_cmake)s"',
+    '-DCMAKE_INSTALL_LIBDIR=%(installdir)s/lib',
+]
+
+configopts = ' '.join(_copts)
+
+buildopts = 'faiss swigfaiss'
+
+postinstallcmds = [
+    ' && '.join([
+        # run a pip install in the 'faiss/python' subdir
+        'cd ../easybuild_obj/%(namelower)s/python',
+        'python -m pip install --prefix=%(installdir)s --no-build-isolation .',
+        # for some reason, 'libfaiss_python_callbacks.so' doesn't get installed, so copy this manually
+        'cp libfaiss_python_callbacks.%s %%(installdir)s/lib/python%%(pyshortver)s/site-packages/faiss' % SHLIB_EXT
+    ])
+]
+
+sanity_check_paths = {
+    'files': ['lib/lib%%(namelower)s.%s' % SHLIB_EXT],
+    'dirs': ['include/%(namelower)s', 'lib/python%(pyshortver)s/site-packages/%(namelower)s'],
+}
+
+moduleclass = 'tools'
diff --git a/easybuild/easyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1-foss-2023a-CUDA-12.1.1.eb b/easybuild/easyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1-foss-2023a-CUDA-12.1.1.eb
@@ -0,0 +1,58 @@
+# Author: Jasper Grimm (UoY)
+easyblock = 'CMakePythonPackage'
+
+name = 't-SNE-CUDA'
+version = '3.0.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://github.com/CannyLab/tsne-cuda'
+description = "GPU Accelerated t-SNE for CUDA with Python bindings"
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+source_urls = ['https://github.com/CannyLab/tsne-cuda/archive']
+sources = ['%(version)s.tar.gz']
+patches = [
+    '%(name)s-3.0.1_use-external-cxxopts.patch',
+    '%(name)s-3.0.1_avoid-overriding-cuda-compute-capabilities.patch',
+]
+checksums = [
+    {'3.0.1.tar.gz': '0f778247191f483df22dc4dbed792c9a6a9152ee7404329c4d9da3fd9a8774d6'},
+    {'t-SNE-CUDA-3.0.1_use-external-cxxopts.patch': 'be278f6a122ac12b02e05faffd53f3bce3e58b1d6b40af5e6af6b4182c6a25f1'},
+    {'t-SNE-CUDA-3.0.1_avoid-overriding-cuda-compute-capabilities.patch':
+     '09a1ac23c8ca485478fdfccacfe7b04a5608530f3da33892f64c76064a834722'},
+]
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('googletest', '1.13.0'),
+    ('cxxopts', '3.0.0', '', SYSTEM),
+]
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('Faiss', '1.7.4', versionsuffix),
+    ('gflags', '2.2.2'),
+]
+
+_copts = [
+    '-DBUILD_PYTHON=ON',
+    '-DWITH_ZMQ=FALSE',
+    '-DWITH_MKL=OFF',
+    '-DCMAKE_CUDA_ARCHITECTURES="%(cuda_cc_cmake)s"',
+]
+
+configopts = ' '.join(_copts)
+
+install_cmd =  ('cd %(builddir)s/easybuild_obj/python &&'
+                ' python -m pip install --prefix=%(installdir)s --no-build-isolation .')
+
+options = {'modulename': 'tsnecuda'}
+
+sanity_check_paths = {
+    'files': ['lib/python%%(pyshortver)s/site-packages/tsnecuda/libtsnecuda.%s' % SHLIB_EXT],
+    'dirs': [],
+}
+
+moduleclass = 'tools'
diff --git a/...asyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1_avoid-overriding-cuda-compute-capabilities.patch b/...asyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1_avoid-overriding-cuda-compute-capabilities.patch
@@ -0,0 +1,109 @@
+Avoid overriding CUDA_ARCH if CMAKE_CUDA_ARCHITECTURES is non-empty
+diff -Nru tsne-cuda-3.0.1.orig/CMakeLists.txt tsne-cuda-3.0.1/CMakeLists.txt
+--- tsne-cuda-3.0.1.orig/CMakeLists.txt	2024-01-18 17:31:58.841767793 +0000
++++ tsne-cuda-3.0.1/CMakeLists.txt	2024-01-18 18:17:35.153863840 +0000
+@@ -58,55 +58,56 @@
+     set(CMAKE_CUDA_STANDARD_REQUIRED ON)
+ endif()
+
+-if(CUDAToolkit_VERSION_MAJOR EQUAL "10")
+-    set(CUDA_ARCH
+-        -gencode=arch=compute_30,code=sm_30
+-        -gencode=arch=compute_35,code=sm_35
+-        -gencode=arch=compute_37,code=sm_37
+-        -gencode=arch=compute_50,code=sm_50
+-        -gencode=arch=compute_52,code=sm_52
+-        -gencode=arch=compute_60,code=sm_60
+-        -gencode=arch=compute_61,code=sm_61
+-        -gencode=arch=compute_70,code=sm_70
+-        -gencode=arch=compute_75,code=sm_75
+-    )
+-elseif(CUDAToolkit_VERSION_MAJOR EQUAL "11" AND CUDAToolkit_VERSION_MINOR LESS "1")
+-    set(CUDA_ARCH
+-        -gencode=arch=compute_35,code=sm_35
+-        -gencode=arch=compute_37,code=sm_37
+-        -gencode=arch=compute_50,code=sm_50
+-        -gencode=arch=compute_52,code=sm_52
+-        -gencode=arch=compute_60,code=sm_60
+-        -gencode=arch=compute_61,code=sm_61
+-        -gencode=arch=compute_70,code=sm_70
+-        -gencode=arch=compute_75,code=sm_75
+-        -gencode=arch=compute_80,code=sm_80
+-    )
+-elseif(CUDAToolkit_VERSION_MAJOR EQUAL "11")
+-    set(CUDA_ARCH
+-        -gencode=arch=compute_35,code=sm_35
+-        -gencode=arch=compute_37,code=sm_37
+-        -gencode=arch=compute_50,code=sm_50
+-        -gencode=arch=compute_52,code=sm_52
+-        -gencode=arch=compute_60,code=sm_60
+-        -gencode=arch=compute_61,code=sm_61
+-        -gencode=arch=compute_70,code=sm_70
+-        -gencode=arch=compute_75,code=sm_75
+-        -gencode=arch=compute_80,code=sm_80
+-        -gencode=arch=compute_86,code=sm_86
+-    )
+-else()
+-    set(CUDA_ARCH
+-        -gencode=arch=compute_30,code=sm_30
+-        -gencode=arch=compute_35,code=sm_35
+-        -gencode=arch=compute_37,code=sm_37
+-        -gencode=arch=compute_50,code=sm_50
+-        -gencode=arch=compute_52,code=sm_52
+-        -gencode=arch=compute_60,code=sm_60
+-        -gencode=arch=compute_61,code=sm_61
++if("${CMAKE_CUDA_ARCHITECTURES}" STREQUAL "")
++    if(CUDAToolkit_VERSION_MAJOR EQUAL "10")
++        set(CUDA_ARCH
++            -gencode=arch=compute_30,code=sm_30
++            -gencode=arch=compute_35,code=sm_35
++            -gencode=arch=compute_37,code=sm_37
++            -gencode=arch=compute_50,code=sm_50
++            -gencode=arch=compute_52,code=sm_52
++            -gencode=arch=compute_60,code=sm_60
++            -gencode=arch=compute_61,code=sm_61
++            -gencode=arch=compute_70,code=sm_70
++            -gencode=arch=compute_75,code=sm_75
+         )
+-endif()
+-
++    elseif(CUDAToolkit_VERSION_MAJOR EQUAL "11" AND CUDAToolkit_VERSION_MINOR LESS "1")
++        set(CUDA_ARCH
++            -gencode=arch=compute_35,code=sm_35
++            -gencode=arch=compute_37,code=sm_37
++            -gencode=arch=compute_50,code=sm_50
++            -gencode=arch=compute_52,code=sm_52
++            -gencode=arch=compute_60,code=sm_60
++            -gencode=arch=compute_61,code=sm_61
++            -gencode=arch=compute_70,code=sm_70
++            -gencode=arch=compute_75,code=sm_75
++            -gencode=arch=compute_80,code=sm_80
++        )
++    elseif(CUDAToolkit_VERSION_MAJOR EQUAL "11")
++        set(CUDA_ARCH
++            -gencode=arch=compute_35,code=sm_35
++            -gencode=arch=compute_37,code=sm_37
++            -gencode=arch=compute_50,code=sm_50
++            -gencode=arch=compute_52,code=sm_52
++            -gencode=arch=compute_60,code=sm_60
++            -gencode=arch=compute_61,code=sm_61
++            -gencode=arch=compute_70,code=sm_70
++            -gencode=arch=compute_75,code=sm_75
++            -gencode=arch=compute_80,code=sm_80
++            -gencode=arch=compute_86,code=sm_86
++        )
++    else()
++        set(CUDA_ARCH
++            -gencode=arch=compute_30,code=sm_30
++            -gencode=arch=compute_35,code=sm_35
++            -gencode=arch=compute_37,code=sm_37
++            -gencode=arch=compute_50,code=sm_50
++            -gencode=arch=compute_52,code=sm_52
++            -gencode=arch=compute_60,code=sm_60
++            -gencode=arch=compute_61,code=sm_61
++            )
++    endif()
++endif()
+
+ set(CUDA_OPTS
+     -O3
diff --git a/easybuild/easyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1_use-external-cxxopts.patch b/easybuild/easyconfigs/t/t-SNE-CUDA/t-SNE-CUDA-3.0.1_use-external-cxxopts.patch
@@ -0,0 +1,27 @@
+Update CMakeLists.txt to use an external cxxopts
+diff -Nru tsne-cuda-3.0.1.orig/CMakeLists.txt tsne-cuda-3.0.1/CMakeLists.txt
+--- tsne-cuda-3.0.1.orig/CMakeLists.txt	2024-01-18 17:31:58.841767793 +0000
++++ tsne-cuda-3.0.1/CMakeLists.txt	2024-01-18 17:34:46.095207526 +0000
+@@ -157,6 +157,14 @@
+ endif()
+ include_directories(${FAISS_INCLUDE_DIR})
+
++# CXXOPTS Configuration
++#-------------------------------------------------------------------------------
++find_package(CXXOPTS REQUIRED)
++if(NOT ${CXXOPTS_FOUND})
++    message("-- CXXOPTS not installed. PLease install CXXOPTS.")
++endif()
++include_directories(${CXXOPTS_INCLUDE_DIR})
++
+ # Project Setup
+ #-------------------------------------------------------------------------------
+ include_directories(
+@@ -164,7 +172,6 @@
+     src/include
+     ${CUDA_INCLUDE_DIRS}
+     third_party/
+-    third_party/cxxopts/include/
+     ${ZMQ_INCLUDE_DIR}
+ )
+ link_directories(