New port: science/cp2k-data: Data for cp2k quantum chemistry package

5 files changed, 173 insertions, 0 deletions

diff --git a/science/Makefile b/science/Makefile
index 5535db2d9f44..a41cc6e8f222 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -54,6 +54,7 @@
     SUBDIR += coordgenlibs
     SUBDIR += coot
     SUBDIR += cp2k
+    SUBDIR += cp2k-data
     SUBDIR += crf++
     SUBDIR += dalton
     SUBDIR += datawarrior
diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile
new file mode 100644
index 000000000000..6398c06332be
--- /dev/null
+++ b/science/cp2k-data/Makefile
@@ -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>
diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo
new file mode 100644
index 000000000000..de0f4a4bc3a3
--- /dev/null
+++ b/science/cp2k-data/distinfo
@@ -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
diff --git a/science/cp2k-data/pkg-descr b/science/cp2k-data/pkg-descr
new file mode 100644
index 000000000000..2a6cb1ed5ff1
--- /dev/null
+++ b/science/cp2k-data/pkg-descr
@@ -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/
diff --git a/science/cp2k-data/pkg-plist b/science/cp2k-data/pkg-plist
new file mode 100644
index 000000000000..9083b2f7ab13
--- /dev/null
+++ b/science/cp2k-data/pkg-plist
@@ -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