svn commit: r454190 - in head/science: . erd

[Yuri Victorovich]

Author: yuri
Date: Tue Nov 14 18:44:05 2017
New Revision: 454190
URL: https://svnweb.freebsd.org/changeset/ports/454190

Log:
  New port: science/erd: AcesIII electron repulsion integrals
  
  Approved by:	tcberner (mentor)
  Differential Revision:	https://reviews.freebsd.org/D13080

Added:
  head/science/erd/
  head/science/erd/Makefile   (contents, props changed)
  head/science/erd/distinfo   (contents, props changed)
  head/science/erd/pkg-descr   (contents, props changed)
  head/science/erd/pkg-plist   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Tue Nov 14 18:38:52 2017	(r454189)
+++ head/science/Makefile	Tue Nov 14 18:44:05 2017	(r454190)
@@ -43,6 +43,7 @@
     SUBDIR += dlpoly-classic
     SUBDIR += ecs
     SUBDIR += epte
+    SUBDIR += erd
     SUBDIR += fastcap
     SUBDIR += fasthenry
     SUBDIR += fisicalab

Added: head/science/erd/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/erd/Makefile	Tue Nov 14 18:44:05 2017	(r454190)
@@ -0,0 +1,22 @@
+# $FreeBSD$
+
+PORTNAME=	erd
+DISTVERSIONPREFIX=	v
+DISTVERSION=	3.0.6
+CATEGORIES=	science
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	AcesIII electron repulsion integrals
+
+LICENSE=	GPLv2
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake:outsource fortran
+USE_GITHUB=	yes
+GH_ACCOUNT=	psi4
+USE_LDCONFIG=	yes
+
+CMAKE_ARGS=	-DBUILD_SHARED_LIBS:BOOL=ON \
+		-DENABLE_XHOST:BOOL=OFF
+
+.include <bsd.port.mk>

Added: head/science/erd/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/erd/distinfo	Tue Nov 14 18:44:05 2017	(r454190)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1510552620
+SHA256 (psi4-erd-v3.0.6_GH0.tar.gz) = ae9a42f7f06bcafad69d95ee66386ccd6ef7b1d1f4f1a2687e6f942245da17de
+SIZE (psi4-erd-v3.0.6_GH0.tar.gz) = 342362

Added: head/science/erd/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/erd/pkg-descr	Tue Nov 14 18:44:05 2017	(r454190)
@@ -0,0 +1,8 @@
+Efficient electronic integrals in quantum chemistry, and their generalized
+derivatives for object oriented implementations of electronic structure
+calculations.
+
+Based on the paper:
+* http://onlinelibrary.wiley.com/doi/10.1002/jcc.21018/abstract
+
+WWW: https://github.com/psi4/erd

Added: head/science/erd/pkg-plist
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/erd/pkg-plist	Tue Nov 14 18:44:05 2017	(r454190)
@@ -0,0 +1,6 @@
+include/ERD/ERD_MANGLE.h
+lib/liberd.so
+share/cmake/erd/erdConfig.cmake
+share/cmake/erd/erdConfigVersion.cmake
+share/cmake/erd/erdTargets-%%CMAKE_BUILD_TYPE%%.cmake
+share/cmake/erd/erdTargets.cmake