mirror/freebsd-ports
1
0
Fork 0
mirror of https://git.FreeBSD.org/ports.git synced 2025-01-16 07:58:04 +00:00
Code Issues Releases Activity

science/{,py-}dftbplus: Update 22.2 → 23.1

Browse Source 
Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2023-07-11 19:57:06 -07:00
parent f6e179d2e2
commit 1e4eb1f53c
5 changed files with 17 additions and 15 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

7
science/dftbplus/Makefile
View File

@ -1,5 +1,5 @@
PORTNAME= dftbplus
DISTVERSION= 22.2
DISTVERSION= 23.1
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@ -29,8 +29,7 @@ USE_GITHUB= yes
GH_TUPLE= \
aradi:fytest:94e05ac:aradi_fytest/external/fytest/origin \
dftbplus:testparams:cd7536f:testparams/external/slakos/origin \
dftd4:dftd4:1189af7:dftd4_dftd4/external/dftd4/origin \
grimme-lab:gbsa-parameters:6836c4d:grimme_lab_gbsa/external/gbsa/origin
dftd4:dftd4:056491b:dftd4_dftd4/external/dftd4/origin
TEST_TARGET= test
@ -67,7 +66,7 @@ MBD_LIB_DEPENDS= libmbd.so:science/libmbd
MPIX_DESC= MPI (Message Passing Interface) support # the MPI option name causes failure in MPI_USES=mpi:openmpi
MPIX_CMAKE_BOOL= WITH_MPI
MPIX_USES= mpi:openmpi
MPIX_USES= mpi:mpich
MPIX_LIB_DEPENDS= libmpich.so:net/mpich \
libmpifx.so:net/mpifx \
libscalapack.so:math/scalapack \

12
science/dftbplus/distinfo
View File

@ -1,11 +1,9 @@
TIMESTAMP = 1685904291
SHA256 (dftbplus-dftbplus-22.2_GH0.tar.gz) = ca69a5e21bf9071179c5a2c57d89cdcbb0543e771661ac5e8be584fafa4c61df
SIZE (dftbplus-dftbplus-22.2_GH0.tar.gz) = 5388024
TIMESTAMP = 1689128954
SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345
SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282
SHA256 (aradi-fytest-94e05ac_GH0.tar.gz) = f29e91bb0a002ded95108091d4b2d20d99a6c4e465e068b1ec24252e1b4e4141
SIZE (aradi-fytest-94e05ac_GH0.tar.gz) = 16503
SHA256 (dftbplus-testparams-cd7536f_GH0.tar.gz) = 73bfe7b631afa5fbedeb534228afe0f210cb44fdf48d916b66c7ba40d6327ca3
SIZE (dftbplus-testparams-cd7536f_GH0.tar.gz) = 24900261
SHA256 (dftd4-dftd4-1189af7_GH0.tar.gz) = 091e42c2eac683f0d05ae27afc4ec3e178e281abb035201ac46501e4968bd974
SIZE (dftd4-dftd4-1189af7_GH0.tar.gz) = 221077
SHA256 (grimme-lab-gbsa-parameters-6836c4d_GH0.tar.gz) = 5b898662131b6a5b976fd45138a6cc2eb87a83c90188bb77823d4014f30f8f57
SIZE (grimme-lab-gbsa-parameters-6836c4d_GH0.tar.gz) = 57824
SHA256 (dftd4-dftd4-056491b_GH0.tar.gz) = 49f2c03a6bf2ad524cf452ba5d210aef86307dd3750a5aa5ee9d2dab8c5f05d8
SIZE (dftd4-dftd4-056491b_GH0.tar.gz) = 355267

5
science/dftbplus/pkg-plist
View File

@ -24,6 +24,7 @@ include/dftbplus/modfiles/dftbp_common_atomicrad.mod
%%MPIX%%include/dftbplus/modfiles/dftbp_common_blacsenv.mod
include/dftbplus/modfiles/dftbp_common_coherence.mod
include/dftbplus/modfiles/dftbp_common_constants.mod
include/dftbplus/modfiles/dftbp_common_envcheck.mod
include/dftbplus/modfiles/dftbp_common_environment.mod
include/dftbplus/modfiles/dftbp_common_file.mod
include/dftbplus/modfiles/dftbp_common_filesystem.mod
@ -113,6 +114,7 @@ include/dftbplus/modfiles/dftbp_dftbplus_elstattypes.mod
include/dftbplus/modfiles/dftbp_dftbplus_forcetypes.mod
include/dftbplus/modfiles/dftbp_dftbplus_hsdhelpers.mod
include/dftbplus/modfiles/dftbp_dftbplus_initprogram.mod
include/dftbplus/modfiles/dftbp_dftbplus_input_fileaccess.mod
include/dftbplus/modfiles/dftbp_dftbplus_input_geoopt.mod
include/dftbplus/modfiles/dftbp_dftbplus_inputconversion.mod
include/dftbplus/modfiles/dftbp_dftbplus_inputdata.mod
@ -150,6 +152,7 @@ include/dftbplus/modfiles/dftbp_extlibs_sdftd3.mod
include/dftbplus/modfiles/dftbp_extlibs_tblite.mod
include/dftbplus/modfiles/dftbp_extlibs_xmlf90.mod
include/dftbplus/modfiles/dftbp_geoopt_conjgrad.mod
include/dftbplus/modfiles/dftbp_geoopt_deprecated_steepdesc.mod
include/dftbplus/modfiles/dftbp_geoopt_filter.mod
include/dftbplus/modfiles/dftbp_geoopt_fire.mod
include/dftbplus/modfiles/dftbp_geoopt_gdiis.mod
@ -263,6 +266,8 @@ include/dftbplus/modfiles/dftbp_type_dynneighlist.mod
include/dftbplus/modfiles/dftbp_type_integral.mod
include/dftbplus/modfiles/dftbp_type_latpointiter.mod
include/dftbplus/modfiles/dftbp_type_linkedlist.mod
include/dftbplus/modfiles/dftbp_type_linkedlistc0.mod
include/dftbplus/modfiles/dftbp_type_linkedlistc1.mod
include/dftbplus/modfiles/dftbp_type_linkedlisti0.mod
include/dftbplus/modfiles/dftbp_type_linkedlisti1.mod
include/dftbplus/modfiles/dftbp_type_linkedlistlc0.mod

2
science/py-dftbplus/Makefile
View File

@ -1,5 +1,5 @@
PORTNAME= dftbplus
DISTVERSION= 22.2
DISTVERSION= 23.1
CATEGORIES= science
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}

6
science/py-dftbplus/distinfo
View File

@ -1,3 +1,3 @@
TIMESTAMP = 1685903491
SHA256 (dftbplus-dftbplus-22.2_GH0.tar.gz) = ca69a5e21bf9071179c5a2c57d89cdcbb0543e771661ac5e8be584fafa4c61df
SIZE (dftbplus-dftbplus-22.2_GH0.tar.gz) = 5388024
TIMESTAMP = 1689131171
SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345
SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282