Älven
34452b5aae
This is an fully Free Software solvation model, based on the original conductor like screening model for realistic solvation (COSMO-RS) model by Klamt et al. in combination with the universal solvation model based on solute electron density (SMD): by Marenich, Cramer and Truhlar. WWW: https://github.com/grimme-lab/CPCM-X/ Reviewed by: diizzy@ Approved by: yuri@ (Mentor) Differential Revision: https://reviews.freebsd.org/D53531
35 lines
933 B
Makefile
35 lines
933 B
Makefile
PORTNAME= cpcmx
|
|
DISTVERSION= 1.1.0
|
|
CATEGORIES= science # chemistry
|
|
MASTER_SITES= https://github.com/grimme-lab/CPCM-X/releases/download/v${DISTVERSION}/
|
|
DISTNAME= cpx-${DISTVERSION}
|
|
|
|
MAINTAINER= alven@FreeBSD.org
|
|
COMMENT= Extended conductor-like polarizable continuum solvation model
|
|
WWW= https://github.com/grimme-lab/CPCM-X/
|
|
|
|
LICENSE= LGPL3+
|
|
LICENSE_FILE= ${WRKSRC}/LICENSE
|
|
|
|
LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \
|
|
libnumsa.so:science/numsa \
|
|
libtoml-f.so:textproc/toml-f
|
|
TEST_DEPENDS= test-drive>0:devel/test-drive
|
|
|
|
USES= blaslapack cmake fortran tar:xz
|
|
USE_LDCONFIG= yes
|
|
|
|
CMAKE_ON= BUILD_SHARED_LIBS
|
|
|
|
TEST_TARGET= test
|
|
|
|
# Remove bundled libraries
|
|
post-extract:
|
|
${RM} -r ${WRKSRC}/subprojects
|
|
|
|
post-patch: # same as https://github.com/grimme-lab/mctc-lib/pull/55
|
|
@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' \
|
|
${WRKSRC}/config/CMakeLists.txt
|
|
|
|
.include <bsd.port.mk>
|