Date: Sat, 6 Apr 2019 16:27:13 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r498146 - in head/science: . cp2k-data Message-ID: <201904061627.x36GRDtF064626@repo.freebsd.org>
next in thread | raw e-mail | index | archive | help
Author: yuri Date: Sat Apr 6 16:27:13 2019 New Revision: 498146 URL: https://svnweb.freebsd.org/changeset/ports/498146 Log: New port: science/cp2k-data: Data for cp2k quantum chemistry package Added: head/science/cp2k-data/ head/science/cp2k-data/Makefile (contents, props changed) head/science/cp2k-data/distinfo (contents, props changed) head/science/cp2k-data/pkg-descr (contents, props changed) head/science/cp2k-data/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sat Apr 6 15:27:26 2019 (r498145) +++ head/science/Makefile Sat Apr 6 16:27:13 2019 (r498146) @@ -54,6 +54,7 @@ SUBDIR += coordgenlibs SUBDIR += coot SUBDIR += cp2k + SUBDIR += cp2k-data SUBDIR += crf++ SUBDIR += dalton SUBDIR += datawarrior Added: head/science/cp2k-data/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/cp2k-data/Makefile Sat Apr 6 16:27:13 2019 (r498146) @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= cp2k-data +DISTVERSIONPREFIX= v +DISTVERSION= 6.1.0 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Data for cp2k quantum chemistry package + +LICENSE= GPLv2+ + +USE_GITHUB= yes +GH_ACCOUNT= cp2k +GH_PROJECT= cp2k + +NO_BUILD= yes +NO_ARCH= yes + +DATADIR= ${PREFIX}/share/cp2k + +do-install: + cd ${WRKSRC}/data && ${COPYTREE_SHARE} . ${STAGEDIR}${DATADIR} + +.include <bsd.port.mk> Added: head/science/cp2k-data/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/cp2k-data/distinfo Sat Apr 6 16:27:13 2019 (r498146) @@ -0,0 +1,3 @@ +TIMESTAMP = 1554566037 +SHA256 (cp2k-cp2k-v6.1.0_GH0.tar.gz) = d7dd5f164e1e51d2dcb8c7d927b99f6ac1d0f8de4a665bd9daee1a14864c30ae +SIZE (cp2k-cp2k-v6.1.0_GH0.tar.gz) = 63576088 Added: head/science/cp2k-data/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/cp2k-data/pkg-descr Sat Apr 6 16:27:13 2019 (r498146) @@ -0,0 +1,4 @@ +Data files used by the cp2k quantum chemistry package. +They include pseudopotentials and other data needed for computations. + +WWW: https://www.cp2k.org/ Added: head/science/cp2k-data/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/cp2k-data/pkg-plist Sat Apr 6 16:27:13 2019 (r498146) @@ -0,0 +1,140 @@ +%%DATADIR%%/ALL_BASIS_SETS +%%DATADIR%%/ALL_POTENTIALS +%%DATADIR%%/BASIS_ADMM +%%DATADIR%%/BASIS_ADMM_MOLOPT +%%DATADIR%%/BASIS_LRIGPW_AUXMOLOPT +%%DATADIR%%/BASIS_MOLOPT +%%DATADIR%%/BASIS_MOLOPT_UCL +%%DATADIR%%/BASIS_RI_cc-TZ +%%DATADIR%%/BASIS_SET +%%DATADIR%%/BASIS_ZIJLSTRA +%%DATADIR%%/BASIS_def2_QZVP_RI_ALL +%%DATADIR%%/BASIS_pob-TZVP +%%DATADIR%%/DFTB/nonscc/bb +%%DATADIR%%/DFTB/nonscc/bc +%%DATADIR%%/DFTB/nonscc/bh +%%DATADIR%%/DFTB/nonscc/bn +%%DATADIR%%/DFTB/nonscc/cb +%%DATADIR%%/DFTB/nonscc/cc +%%DATADIR%%/DFTB/nonscc/cf +%%DATADIR%%/DFTB/nonscc/ch +%%DATADIR%%/DFTB/nonscc/clcl_exp +%%DATADIR%%/DFTB/nonscc/clk_exp +%%DATADIR%%/DFTB/nonscc/clli_exp +%%DATADIR%%/DFTB/nonscc/clna_exp +%%DATADIR%%/DFTB/nonscc/cn +%%DATADIR%%/DFTB/nonscc/co +%%DATADIR%%/DFTB/nonscc/csc +%%DATADIR%%/DFTB/nonscc/csi +%%DATADIR%%/DFTB/nonscc/fc +%%DATADIR%%/DFTB/nonscc/ff +%%DATADIR%%/DFTB/nonscc/fh +%%DATADIR%%/DFTB/nonscc/hb +%%DATADIR%%/DFTB/nonscc/hh +%%DATADIR%%/DFTB/nonscc/hh0 +%%DATADIR%%/DFTB/nonscc/kcl_exp +%%DATADIR%%/DFTB/nonscc/kk_exp +%%DATADIR%%/DFTB/nonscc/licl_exp +%%DATADIR%%/DFTB/nonscc/lili_exp +%%DATADIR%%/DFTB/nonscc/momo +%%DATADIR%%/DFTB/nonscc/mos +%%DATADIR%%/DFTB/nonscc/nacl_exp +%%DATADIR%%/DFTB/nonscc/nana_exp +%%DATADIR%%/DFTB/nonscc/nb +%%DATADIR%%/DFTB/nonscc/nbnb +%%DATADIR%%/DFTB/nonscc/nbs +%%DATADIR%%/DFTB/nonscc/nc +%%DATADIR%%/DFTB/nonscc/nh +%%DATADIR%%/DFTB/nonscc/nn +%%DATADIR%%/DFTB/nonscc/no +%%DATADIR%%/DFTB/nonscc/nonscc_parameter +%%DATADIR%%/DFTB/nonscc/nsc +%%DATADIR%%/DFTB/nonscc/nsi +%%DATADIR%%/DFTB/nonscc/oc +%%DATADIR%%/DFTB/nonscc/oh +%%DATADIR%%/DFTB/nonscc/on +%%DATADIR%%/DFTB/nonscc/oo +%%DATADIR%%/DFTB/nonscc/osi +%%DATADIR%%/DFTB/nonscc/osi-d +%%DATADIR%%/DFTB/nonscc/pp +%%DATADIR%%/DFTB/nonscc/scc +%%DATADIR%%/DFTB/nonscc/scn +%%DATADIR%%/DFTB/nonscc/scsc +%%DATADIR%%/DFTB/nonscc/sic +%%DATADIR%%/DFTB/nonscc/sih +%%DATADIR%%/DFTB/nonscc/sih-d +%%DATADIR%%/DFTB/nonscc/sin +%%DATADIR%%/DFTB/nonscc/sio +%%DATADIR%%/DFTB/nonscc/sio-d +%%DATADIR%%/DFTB/nonscc/sisi +%%DATADIR%%/DFTB/nonscc/sisi-d +%%DATADIR%%/DFTB/nonscc/smo +%%DATADIR%%/DFTB/nonscc/snb +%%DATADIR%%/DFTB/nonscc/ss +%%DATADIR%%/DFTB/scc/cc.spl +%%DATADIR%%/DFTB/scc/ch.spl +%%DATADIR%%/DFTB/scc/cn.spl +%%DATADIR%%/DFTB/scc/co.spl +%%DATADIR%%/DFTB/scc/cp.spl +%%DATADIR%%/DFTB/scc/cs.spl +%%DATADIR%%/DFTB/scc/czn.spl +%%DATADIR%%/DFTB/scc/hc.spl +%%DATADIR%%/DFTB/scc/hh.spl +%%DATADIR%%/DFTB/scc/hn.spl +%%DATADIR%%/DFTB/scc/ho.spl +%%DATADIR%%/DFTB/scc/hp.spl +%%DATADIR%%/DFTB/scc/hs.spl +%%DATADIR%%/DFTB/scc/hzn.spl +%%DATADIR%%/DFTB/scc/nc.spl +%%DATADIR%%/DFTB/scc/nh.spl +%%DATADIR%%/DFTB/scc/nn.spl +%%DATADIR%%/DFTB/scc/no.spl +%%DATADIR%%/DFTB/scc/np.spl +%%DATADIR%%/DFTB/scc/ns.spl +%%DATADIR%%/DFTB/scc/nzn.spl +%%DATADIR%%/DFTB/scc/oc.spl +%%DATADIR%%/DFTB/scc/oh.spl +%%DATADIR%%/DFTB/scc/on.spl +%%DATADIR%%/DFTB/scc/oo.spl +%%DATADIR%%/DFTB/scc/op.spl +%%DATADIR%%/DFTB/scc/os.spl +%%DATADIR%%/DFTB/scc/ozn.spl +%%DATADIR%%/DFTB/scc/pc.spl +%%DATADIR%%/DFTB/scc/ph.spl +%%DATADIR%%/DFTB/scc/pn.spl +%%DATADIR%%/DFTB/scc/po.spl +%%DATADIR%%/DFTB/scc/pp.spl +%%DATADIR%%/DFTB/scc/ps.spl +%%DATADIR%%/DFTB/scc/sc.spl +%%DATADIR%%/DFTB/scc/scc_parameter +%%DATADIR%%/DFTB/scc/sh.spl +%%DATADIR%%/DFTB/scc/sn.spl +%%DATADIR%%/DFTB/scc/so.spl +%%DATADIR%%/DFTB/scc/sp.spl +%%DATADIR%%/DFTB/scc/ss.spl +%%DATADIR%%/DFTB/scc/szn.spl +%%DATADIR%%/DFTB/scc/uff_table +%%DATADIR%%/DFTB/scc/znc.spl +%%DATADIR%%/DFTB/scc/znh.spl +%%DATADIR%%/DFTB/scc/znn.spl +%%DATADIR%%/DFTB/scc/zno.spl +%%DATADIR%%/DFTB/scc/zns.spl +%%DATADIR%%/DFTB/scc/znzn.spl +%%DATADIR%%/DFTB/uff_table +%%DATADIR%%/ECP_POTENTIALS +%%DATADIR%%/EMSL_BASIS_SETS +%%DATADIR%%/GTH_BASIS_SETS +%%DATADIR%%/GTH_POTENTIALS +%%DATADIR%%/HFX_BASIS +%%DATADIR%%/HF_POTENTIALS +%%DATADIR%%/MM_POTENTIAL +%%DATADIR%%/NLCC_POTENTIALS +%%DATADIR%%/POTENTIAL +%%DATADIR%%/README +%%DATADIR%%/dftd3.dat +%%DATADIR%%/nm12_parameters.xml +%%DATADIR%%/rVV10_kernel_table.dat +%%DATADIR%%/t_c_g.dat +%%DATADIR%%/t_sh_p_s_c.dat +%%DATADIR%%/vdW_kernel_table.dat +%%DATADIR%%/xc_section/PBE.sec
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?201904061627.x36GRDtF064626>