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Code Issues Releases Activity

science/nwchem{,-data}: update 7.2.2 → 7.2.3

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2024-08-30 15:48:29 -07:00
parent d1008f97fc
commit 5ca677b02b
5 changed files with 23 additions and 20 deletions
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2
science/nwchem-data/Makefile
View File

@ -1,6 +1,6 @@
PORTNAME= nwchem-data
DISTVERSIONPREFIX= v
DISTVERSION= 7.2.2
DISTVERSION= 7.2.3
DISTVERSIONSUFFIX= -release
CATEGORIES= science

6
science/nwchem-data/distinfo
View File

@ -1,3 +1,3 @@
TIMESTAMP = 1712964493
SHA256 (nwchemgit-nwchem-v7.2.2-release_GH0.tar.gz) = a33491c8c55a60610ffab5f73e8ce5001941589548421275dabe58b6063179e7
SIZE (nwchemgit-nwchem-v7.2.2-release_GH0.tar.gz) = 210856591
TIMESTAMP = 1725044418
SHA256 (nwchemgit-nwchem-v7.2.3-release_GH0.tar.gz) = fec76fbe650cdab8b00c8c1d7a5671554313e04a8e9e2fb300a7aad486910e6f
SIZE (nwchemgit-nwchem-v7.2.3-release_GH0.tar.gz) = 213226695

2
science/nwchem-data/pkg-plist
View File

@ -1247,6 +1247,7 @@
%%DATADIR%%/libraryps/development_psps/Md
%%DATADIR%%/libraryps/development_psps/Mt
%%DATADIR%%/libraryps/development_psps/Nd
%%DATADIR%%/libraryps/development_psps/Ni
%%DATADIR%%/libraryps/development_psps/No
%%DATADIR%%/libraryps/development_psps/Np
%%DATADIR%%/libraryps/development_psps/Pa
@ -1369,6 +1370,7 @@
%%DATADIR%%/libraryps/pspw_default/Br
%%DATADIR%%/libraryps/pspw_default/Br.old
%%DATADIR%%/libraryps/pspw_default/C
%%DATADIR%%/libraryps/pspw_default/C^
%%DATADIR%%/libraryps/pspw_default/Ca
%%DATADIR%%/libraryps/pspw_default/Cd
%%DATADIR%%/libraryps/pspw_default/Ce

17
science/nwchem/Makefile
View File

@ -1,13 +1,13 @@
PORTNAME= nwchem
DISTVERSIONPREFIX= v
DISTVERSION= 7.2.2
PORTREVISION= 1
DISTVERSION= 7.2.3
DISTVERSIONSUFFIX= -release
CATEGORIES= science
MASTER_SITES= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dftd3 \
https://web.archive.org/web/20210527062154if_/https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dft3 \
MASTER_SITES= https://github.com/nwchemgit/nwchem/releases/download/${DISTVERSIONFULL}/ \
https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/:dft3 \
https://gitlab.com/libxc/libxc/-/archive/${LIBXC_VERSION}/:libxc
DISTFILES= dftd3.tgz:dft3 \
DISTFILES= ${PORTNAME}-${DISTVERSION}-${DISTVERSIONSUFFIX}.revision-d690e065-src.2024-08-27${EXTRACT_SUFX} \
dftd3.tgz:dft3 \
libxc-${LIBXC_VERSION}.tar.gz:libxc
DIST_SUBDIR= ${PORTNAME}-${PORTVERSION}
EXTRACT_ONLY= ${DISTNAME}.tar.gz
@ -35,7 +35,6 @@ USE_PERL5= build
USE_GITHUB= yes
GH_ACCOUNT= nwchemgit
GH_TAGNAME= a83175e # hotfix/release-7-2-0 branch fixing extremely long compilation time with gmake-4.4.1
MAKEFILE= GNUmakefile
ARCH_64BIT= ${ARCH:C/.*64.*/64/:S/${ARCH}//}
@ -101,9 +100,9 @@ pre-build:
@cd ${WRKSRC} && \
${SETENV} ${MAKE_ENV} ${MAKE_CMD} nwchem_config
pre-build-BLAS_SIZE_4-on:
@cd ${WRKSRC} && \
${SETENV} ${MAKE_ENV} ${MAKE_CMD} 64_to_32
#pre-build-BLAS_SIZE_4-on: # this is already done in the tarball, but not in the repository
# @cd ${WRKSRC} && \
# ${SETENV} ${MAKE_ENV} ${MAKE_CMD} 64_to_32
do-install:
${INSTALL_DATA} ${WRKDIR}/nwchemrc ${STAGEDIR}${PREFIX}/etc/nwchemrc

16
science/nwchem/distinfo
View File

@ -1,7 +1,9 @@
TIMESTAMP = 1712337297
SHA256 (nwchem-7.2.2/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59
SIZE (nwchem-7.2.2/dftd3.tgz) = 555804
SHA256 (nwchem-7.2.2/libxc-6.1.0.tar.gz) = f593745fa47ebfb9ddc467aaafdc2fa1275f0d7250c692ce9761389a90dd8eaf
SIZE (nwchem-7.2.2/libxc-6.1.0.tar.gz) = 64587311
SHA256 (nwchem-7.2.2/nwchemgit-nwchem-v7.2.2-release-a83175e_GH0.tar.gz) = 7166f42d9120e25ce063642303f2e55e6a79b865b364068bfbc20d76a9a356fb
SIZE (nwchem-7.2.2/nwchemgit-nwchem-v7.2.2-release-a83175e_GH0.tar.gz) = 210857894
TIMESTAMP = 1725047937
SHA256 (nwchem-7.2.3/nwchem-7.2.3--release.revision-d690e065-src.2024-08-27.tar.gz) = fec76fbe650cdab8b00c8c1d7a5671554313e04a8e9e2fb300a7aad486910e6f
SIZE (nwchem-7.2.3/nwchem-7.2.3--release.revision-d690e065-src.2024-08-27.tar.gz) = 213226695
SHA256 (nwchem-7.2.3/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59
SIZE (nwchem-7.2.3/dftd3.tgz) = 555804
SHA256 (nwchem-7.2.3/libxc-6.1.0.tar.gz) = 9baf23501dca21b05fa22d8e2ffeb56f294abe19ba12584cb3f9b421ae719c5f
SIZE (nwchem-7.2.3/libxc-6.1.0.tar.gz) = 64588321
SHA256 (nwchem-7.2.3/nwchemgit-nwchem-v7.2.3-release_GH0.tar.gz) = fec76fbe650cdab8b00c8c1d7a5671554313e04a8e9e2fb300a7aad486910e6f
SIZE (nwchem-7.2.3/nwchemgit-nwchem-v7.2.3-release_GH0.tar.gz) = 213226695