New port: science/nwchem-data: Data for NWChem, the computational chemistry software

Split out data from science/nwchem to facilitate flavor creation there.

6 files changed, 49 insertions, 8 deletions

diff --git a/science/Makefile b/science/Makefile
index a9fc482d4e91..8215d1e6d33c 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -163,6 +163,7 @@
     SUBDIR += netcdf-fortran
     SUBDIR += nifticlib
     SUBDIR += nwchem
+    SUBDIR += nwchem-data
     SUBDIR += octopus
     SUBDIR += openbabel
     SUBDIR += openkim
diff --git a/science/nwchem-data/Makefile b/science/nwchem-data/Makefile
new file mode 100644
index 000000000000..55e6bb244835
--- /dev/null
+++ b/science/nwchem-data/Makefile
@@ -0,0 +1,35 @@
+# $FreeBSD$
+
+PORTNAME=	nwchem-data
+PORTVERSION=	6.8.1.20190125
+CATEGORIES=	science
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Data for NWChem, the computational chemistry software
+
+LICENSE=	ECL20
+LICENSE_NAME=	Educational Community License (ECL) 2.0
+LICENSE_FILE=	${WRKSRC}/../LICENSE.TXT
+LICENSE_PERMS=	dist-mirror dist-sell pkg-mirror pkg-sell auto-accept
+
+USE_GITHUB=	yes
+GH_ACCOUNT=	nwchemgit
+GH_PROJECT=	nwchem
+GH_TAGNAME=	master-oct22_2018-71-g3d310890e
+
+WRKSRC_SUBDIR=	src
+
+DATADIR=	${PREFIX}/share/nwchem
+
+NO_BUILD=	yes
+NO_ARCH=	yes
+
+do-install:
+	cd ${WRKSRC}/basis && ${COPYTREE_SHARE} libraries ${STAGEDIR}${DATADIR}
+	cd ${WRKSRC} && ${COPYTREE_SHARE} data ${STAGEDIR}${DATADIR}
+	@${MKDIR} ${STAGEDIR}${DATADIR}/libraryps
+.for d in development_psps HGH_LDA library1 library2 ofpw_default paw_default pspw_default pspw_new pspw_old Spin_Orbit TETER TM
+	cd ${WRKSRC}/nwpw/libraryps && ${COPYTREE_SHARE} ${d} ${STAGEDIR}${DATADIR}/libraryps/
+.endfor
+
+.include <bsd.port.mk>
diff --git a/science/nwchem-data/distinfo b/science/nwchem-data/distinfo
new file mode 100644
index 000000000000..54185199d25c
--- /dev/null
+++ b/science/nwchem-data/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1548536801
+SHA256 (nwchemgit-nwchem-6.8.1.20190125-master-oct22_2018-71-g3d310890e_GH0.tar.gz) = 4788bd10cbbddb31c681bbfcb4a73df0b04aa3abc8182a61e0da6686d51add0e
+SIZE (nwchemgit-nwchem-6.8.1.20190125-master-oct22_2018-71-g3d310890e_GH0.tar.gz) = 166947105
diff --git a/science/nwchem-data/pkg-descr b/science/nwchem-data/pkg-descr
new file mode 100644
index 000000000000..3812fe5308e1
--- /dev/null
+++ b/science/nwchem-data/pkg-descr
@@ -0,0 +1,6 @@
+The data package for NWChem, the quantum chemistry software.
+
+Data contains basis sets descriptions, pseudopotentials, various related
+data libraries needed for NWChem operation.
+
+WWW: http://www.nwchem-sw.org/index.php/Main_Page
diff --git a/science/nwchem/pkg-plist b/science/nwchem-data/pkg-plist
index 2f0879f15ad7..898cd42c8319 100644
--- a/science/nwchem/pkg-plist
+++ b/science/nwchem-data/pkg-plist
@@ -1,5 +1,3 @@
-bin/nwchem
-etc/nwchemrc
 %%DATADIR%%/data/amber_q/ABE.frg
 %%DATADIR%%/data/amber_q/BNZ.frg
 %%DATADIR%%/data/amber_q/BTH.frg
diff --git a/science/nwchem/Makefile b/science/nwchem/Makefile
index f1e2fc14d447..55a2916dc0f0 100644
--- a/science/nwchem/Makefile
+++ b/science/nwchem/Makefile
@@ -2,6 +2,7 @@
 
 PORTNAME=	nwchem
 PORTVERSION=	6.8.1.20190125
+PORTREVISION=	1
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
@@ -16,6 +17,7 @@ BUILD_DEPENDS=	bash:shells/bash
 LIB_DEPENDS=	libblas.so:math/blas \
 		libga.so:devel/ga \
 		libmpich.so:net/mpich
+RUN_DEPENDS=	nwchem-data>0:science/nwchem-data
 
 USES=		fortran gmake ${ARCH_64BIT:S/^$/perl5/:S/64//} shebangfix
 SHEBANG_FILES=	../contrib/distro-tools/build_* ../contrib/add_*
@@ -36,6 +38,8 @@ WRKSRC_SUBDIR=	src
 
 BINARY_ALIAS=	gcc=${CC} gfortran=gfortran${GCC_DEFAULT}
 
+PLIST_FILES=	bin/nwchem etc/nwchemrc
+
 post-extract:
 	@${RM} ${WRKSRC}/atomscf/src.orig
 
@@ -50,11 +54,5 @@ pre-build:
 do-install:
 	${INSTALL_DATA} ${WRKDIR}/nwchemrc ${STAGEDIR}${PREFIX}/etc/nwchemrc
 	${INSTALL_PROGRAM} ${WRKSRC}/../bin/LINUX${ARCH_64BIT}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin/${PORTNAME}
-	cd ${WRKSRC}/basis && ${COPYTREE_SHARE} libraries ${STAGEDIR}${DATADIR}
-	cd ${WRKSRC} && ${COPYTREE_SHARE} data ${STAGEDIR}${DATADIR}
-	@${MKDIR} ${STAGEDIR}${DATADIR}/libraryps
-.for d in development_psps HGH_LDA library1 library2 ofpw_default paw_default pspw_default pspw_new pspw_old Spin_Orbit TETER TM
-	cd ${WRKSRC}/nwpw/libraryps && ${COPYTREE_SHARE} ${d} ${STAGEDIR}${DATADIR}/libraryps/
-.endfor
 
 .include <bsd.port.mk>