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New port: science/libvdwxc: Van der Waals density functional (DFT) library

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This commit is contained in:
Yuri Victorovich 2019-05-18 05:40:31 +00:00
parent 24d1604d7d
commit b399938765
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=501901
5 changed files with 51 additions and 0 deletions
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1
science/Makefile
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@ -132,6 +132,7 @@
SUBDIR += libssm
SUBDIR += libsvm
SUBDIR += libsvm-python
SUBDIR += libvdwxc
SUBDIR += libxc
SUBDIR += liggghts
SUBDIR += lm

25
science/libvdwxc/Makefile Normal file
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@ -0,0 +1,25 @@
# $FreeBSD$
PORTNAME= libvdwxc
DISTVERSION= 0.4.6.20190510
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Van der Waals density functional (DFT) library
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
LIB_DEPENDS= libfftw3.so:math/fftw3
USES= autoreconf gmake libtool localbase
GNU_CONFIGURE= yes
USE_GITLAB= yes
GL_COMMIT= b1e0dd854310410012d05daf4c6661b49f31b2ab
CONFIGURE_ARGS= --disable-static
USE_LDCONFIG= yes
post-stage:
@cd ${STAGEDIR}${PREFIX} && ${STRIP_CMD} lib/libvdwxc.so.0.0.0 lib/libvdwxcfort.so.0.0.0
.include <bsd.port.mk>

3
science/libvdwxc/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1558157006
SHA256 (libvdwxc-libvdwxc-b1e0dd854310410012d05daf4c6661b49f31b2ab_GL0.tar.gz) = 4d52f51b6fa3ea643a5c24a06038eba71d9ff0f30f87649e7753351673ea1e48
SIZE (libvdwxc-libvdwxc-b1e0dd854310410012d05daf4c6661b49f31b2ab_GL0.tar.gz) = 7197581

7
science/libvdwxc/pkg-descr Normal file
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@ -0,0 +1,7 @@
libvdwxc is a library of density functionals, which can be linked by density
functional theory (DFT) codes, to enable the calculation of exchange and
correlation energies for van der Waals density functionals (vdW-DF). libvdwxc
evaluates correlation energy and potential using a convolution in Fourier space
using the method by Roman-Perez and Soler.
WWW: https://libvdwxc.org/

15
science/libvdwxc/pkg-plist Normal file
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@ -0,0 +1,15 @@
bin/libvdwxc_fdtest
bin/libvdwxc_info
bin/libvdwxc_maintest
bin/libvdwxc_q0test
bin/libvdwxc_q0test2
include/vdwxc.h
include/vdwxc_mpi.h
include/vdwxcfort.f90
lib/libvdwxc.so
lib/libvdwxc.so.0
lib/libvdwxc.so.0.0.0
lib/libvdwxcfort.so
lib/libvdwxcfort.so.0
lib/libvdwxcfort.so.0.0.0
libdata/pkgconfig/libvdwxc.pc