4 files changed, 93 insertions, 0 deletions

diff --git a/science/simint/Makefile b/science/simint/Makefile
new file mode 100644
index 000000000000..f4937b14401d
--- /dev/null
+++ b/science/simint/Makefile
@@ -0,0 +1,49 @@
+# $FreeBSD$
+
+PORTNAME=	simint
+DISTVERSIONPREFIX=	v
+DISTVERSION=	0.7
+CATEGORIES=	science
+MASTER_SITES=	http://www.bennyp.org/research/simint/download/
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Obara-Saika (OS) method of calculating electron repulsion integrals
+
+LICENSE=	BSD3CLAUSE
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake:outsource tar:bz2
+USE_LDCONFIG=	yes
+
+OPTIONS_SINGLE=		VECTOR
+OPTIONS_SINGLE_VECTOR=	SCALAR ${ARCH:C/(amd64|i386)/SSE3 AVX AVXFMA MICAVX512/:C/^[a-z].*//}
+OPTIONS_DEFAULT=	${ARCH:C/(amd64|i386)/SSE3/:C/^[a-z].*/SCALAR/}
+VECTOR_DESC=		Vector SIMD optimization
+SCALAR_DESC=		Unvectorized: no SIMD acceleration
+SSE3_DESC=		Intel CPUs with SSSE3 support
+AVX_DESC=		Intel CPUs with AVX support (Sandy/Ivy Bridge, Haswell)
+AVXFMA_DESC=		Intel CPUs with AVX and FMA support (Haswell)
+MICAVX512_DESC=		Intel KNL (experimental)
+
+# Need https://reviews.freebsd.org/D13078 approved
+#CMAKE_ARGS=	-DSIMINT_VECTOR:STRING=${OPTIONS_SINGLE_VECTOR_SELECTED:S/3//:tl}
+
+# Temporary replacement
+SCALAR_CMAKE_ON=	-DSIMINT_VECTOR:STRING=scalar
+SSE3_CMAKE_ON=		-DSIMINT_VECTOR:STRING=sse
+AVX_CMAKE_ON=		-DSIMINT_VECTOR:STRING=avx
+AVXFMA_CMAKE_ON=	-DSIMINT_VECTOR:STRING=avxfma
+MICAVX512_CMAKE_ON=	-DSIMINT_VECTOR:STRING=micavx512
+
+CMAKE_ON=	BUILD_SHARED_LIBS \
+		SIMINT_STANDALONE
+CMAKE_OFF=	ENABLE_TESTS
+
+.for opt in ${OPTIONS_SINGLE_VECTOR}
+${opt}_VARS=    SIMINT_VECTOR=${opt}
+.endfor
+
+post-install:
+	${INSTALL_DATA} ${WRKSRC}/simint/cpp_restrict.hpp ${STAGEDIR}${PREFIX}/include/simint
+
+.include <bsd.port.mk>
diff --git a/science/simint/distinfo b/science/simint/distinfo
new file mode 100644
index 000000000000..8eb38232349d
--- /dev/null
+++ b/science/simint/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1538928924
+SHA256 (simint-v0.7.tar.bz2) = 9851fa2323924d4732dd611b366219f4408c8561556abb5e4fa6dbb64a8f919c
+SIZE (simint-v0.7.tar.bz2) = 3880164
diff --git a/science/simint/pkg-descr b/science/simint/pkg-descr
new file mode 100644
index 000000000000..820e5fc685f4
--- /dev/null
+++ b/science/simint/pkg-descr
@@ -0,0 +1,8 @@
+Simint is a vectorized implementation of the Obara-Saika (OS) method of
+calculating electron repulsion integrals. Speedup is gained by vectorizing
+the primitive loop of the OS algorithm, with additional vectorization and
+optimizations left to the compiler.
+
+Simint is intended to be used for quantum chemistry computations.
+
+WWW: http://www.bennyp.org/research/simint/
diff --git a/science/simint/pkg-plist b/science/simint/pkg-plist
new file mode 100644
index 000000000000..569d9ef2b650
--- /dev/null
+++ b/science/simint/pkg-plist
@@ -0,0 +1,33 @@
+include/simint/boys/boys.h
+include/simint/boys/boys_long.h
+include/simint/boys/boys_longfac.h
+include/simint/boys/boys_shortgrid.h
+include/simint/boys/boys_taylor.h
+include/simint/cpp_restrict.hpp
+include/simint/constants.h
+include/simint/ostei/gen/hrr_generated.h
+include/simint/ostei/gen/ostei_deriv1_generated.h
+include/simint/ostei/gen/ostei_generated.h
+include/simint/ostei/gen/vrr_generated.h
+include/simint/ostei/ostei.h
+include/simint/ostei/ostei_config.h
+include/simint/ostei/ostei_general.h
+include/simint/ostei/ostei_init.h
+include/simint/ostei/recur_lookup.h
+include/simint/shell/shell.h
+include/simint/shell/shell_constants.h
+include/simint/shell/shell_screen.h
+include/simint/simint.h
+include/simint/simint_eri.h
+include/simint/simint_init.h
+include/simint/vectorization/intrinsics_avx.h
+include/simint/vectorization/intrinsics_avx512.h
+include/simint/vectorization/intrinsics_scalar.h
+include/simint/vectorization/intrinsics_sse.h
+include/simint/vectorization/vector_config.h
+include/simint/vectorization/vectorization.h
+lib/libsimint.so
+share/cmake/simint/simintConfig.cmake
+share/cmake/simint/simintConfigVersion.cmake
+share/cmake/simint/simintTargets-%%CMAKE_BUILD_TYPE%%.cmake
+share/cmake/simint/simintTargets.cmake