Current status

erd AcesIII electron repulsion integrals

3.0.6_5 science =0 3.0.6_5Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2017-11-14 18:44:12

Last Update: 2019-07-26 21:46:57

SVN Revision: 507372

License: GPLv2

Description:

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

SVNWeb : Homepage

pkg-plist: as obtained via: make generate-plist

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1. /usr/local/share/licenses/erd-3.0.6_5/catalog.mk
2. /usr/local/share/licenses/erd-3.0.6_5/LICENSE
3. /usr/local/share/licenses/erd-3.0.6_5/GPLv2
4. include/ERD/ERD_MANGLE.h
5. lib/liberd.so
6. share/cmake/erd/erdConfig.cmake
7. share/cmake/erd/erdConfigVersion.cmake
8. share/cmake/erd/erdTargets-release.cmake
9. share/cmake/erd/erdTargets.cmake
10. @postexec /usr/sbin/service ldconfig restart > /dev/null
11. @postunexec /usr/sbin/service ldconfig restart > /dev/null

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Dependency lines:

• For RUN/BUILD depends:
  • erd>0:science/erd

• For LIB depends:
  • liberd.so:science/erd

To install the port: cd /usr/ports/science/erd/ && make install clean

To add the package: pkg install erd

PKGNAME: erd

Flavors: there is no flavor information for this port.

distinfo:

TIMESTAMP = 1510552620 SHA256 (psi4-erd-v3.0.6_GH0.tar.gz) = ae9a42f7f06bcafad69d95ee66386ccd6ef7b1d1f4f1a2687e6f942245da17de SIZE (psi4-erd-v3.0.6_GH0.tar.gz) = 342362

Packages: (move your mouse over the cells for more information)

erd

ABI	latest	quarterly
FreeBSD:11:aarch64	3.0.6_2	3.0.6_5
FreeBSD:11:amd64	3.0.6_5	3.0.6_5
FreeBSD:11:armv6	-	3.0.6_5
FreeBSD:11:i386	3.0.6_5	3.0.6_5
FreeBSD:11:mips	-	-
FreeBSD:11:mips64	-	-
FreeBSD:12:aarch64	3.0.6_2	3.0.6_5
FreeBSD:12:amd64	3.0.6_5	3.0.6_5
FreeBSD:12:armv6	3.0.6_2	3.0.6_5
FreeBSD:12:armv7	3.0.6_2	3.0.6_5
FreeBSD:12:i386	3.0.6_5	3.0.6_5
FreeBSD:12:mips	-	-
FreeBSD:12:mips64	-	-
FreeBSD:12:powerpc64	-	3.0.6_5
FreeBSD:13:aarch64	3.0.6_5	3.0.6_5
FreeBSD:13:amd64	3.0.6_5	3.0.6_5
FreeBSD:13:armv6	3.0.6_5	-
FreeBSD:13:armv7	3.0.6_5	3.0.6_5
FreeBSD:13:i386	3.0.6_5	3.0.6_5
FreeBSD:13:mips	-	-
FreeBSD:13:mips64	-	-
FreeBSD:13:powerpc64	3.0.6_5	3.0.6_5
FreeBSD:14:aarch64	3.0.6_5	-
FreeBSD:14:amd64	3.0.6_5	-
FreeBSD:14:armv6	-	-
FreeBSD:14:armv7	3.0.6_5	-
FreeBSD:14:i386	3.0.6_5	-
FreeBSD:14:mips	-	-
FreeBSD:14:mips64	-	-
FreeBSD:14:powerpc64	3.0.6_5	-

 

Dependencies

NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:

1. cmake : devel/cmake
2. gfortran9 : lang/gcc9
3. as : devel/binutils

Runtime dependencies:

1. gfortran9 : lang/gcc9

There are no ports dependent upon this port

Configuration Options

No options to configure

USES:

cmake fortran

Master Sites:

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1. https://codeload.github.com/psi4/erd/tar.gz/v3.0.6?dummy=/

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Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330

Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl

Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine

Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590

Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542

Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079).

New port: science/erd: AcesIII electron repulsion integrals

Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13080

12 vulnerabilities affecting 72 ports have been reported in the past 14 days

^* - modified, not new

All vulnerabilities

Last updated:
2021-03-28 22:40:29