packmol: Pack molecules in defined regions of space

[Jason Bacon <bacon%NetBSD.org@localhost>]

Module Name:	pkgsrc-wip
Committed By:	Jason Bacon <bacon%NetBSD.org@localhost>
Pushed By:	outpaddling
Date:		Tue Jul 16 13:08:47 2019 -0500
Changeset:	663ed35bf3b81dcb8731348e4d5204cfa499e75c

Modified Files:
	Makefile
Added Files:
	packmol/DESCR
	packmol/Makefile
	packmol/PLIST
	packmol/distinfo

Log Message:
packmol: Pack molecules in defined regions of space

To see a diff of this commit:
https://wip.pkgsrc.org/cgi-bin/gitweb.cgi?p=pkgsrc-wip.git;a=commitdiff;h=663ed35bf3b81dcb8731348e4d5204cfa499e75c

Please note that diffs are not public domain; they are subject to the
copyright notices on the relevant files.

diffstat:
 Makefile         |  1 +
 packmol/DESCR    |  3 +++
 packmol/Makefile | 23 +++++++++++++++++++++++
 packmol/PLIST    |  2 ++
 packmol/distinfo |  6 ++++++
 5 files changed, 35 insertions(+)

diffs:
diff --git a/Makefile b/Makefile
index 86f94f5f09..ac757fa079 100644
--- a/Makefile
+++ b/Makefile
@@ -2800,6 +2800,7 @@ SUBDIR+=	p6-zef
 SUBDIR+=	pack
 SUBDIR+=	packer
 SUBDIR+=	packman
+SUBDIR+=	packmol
 SUBDIR+=	pacman
 SUBDIR+=	pagetools
 SUBDIR+=	pal
diff --git a/packmol/DESCR b/packmol/DESCR
new file mode 100644
index 0000000000..acb1d36008
--- /dev/null
+++ b/packmol/DESCR
@@ -0,0 +1,3 @@
+PACKMOL creates an initial point for molecular dynamics simulations by packing
+molecules in defined regions of space. The packing guarantees that short range
+repulsive interactions do not disrupt the simulations.
diff --git a/packmol/Makefile b/packmol/Makefile
new file mode 100644
index 0000000000..81d256dfc4
--- /dev/null
+++ b/packmol/Makefile
@@ -0,0 +1,23 @@
+# $NetBSD$
+#
+###########################################################
+#                  Generated by fbsd2pkg                  #
+#              Tue Jul 16 13:02:58 CDT 2019               #
+###########################################################
+
+DISTNAME=	packmol-18.169
+CATEGORIES=	science
+MASTER_SITES=	${MASTER_SITE_GITHUB:=mcubeg/}
+GITHUB_PROJECT=	packmol
+GITHUB_TAG=	${PKGVERSION_NOREV}
+
+MAINTAINER=	bacon%NetBSD.org@localhost
+HOMEPAGE=	http://m3g.iqm.unicamp.br/packmol/home.shtml
+COMMENT=	Pack molecules in defined regions of space
+LICENSE=	mit
+
+USE_LANGUAGES=	c c++ fortran
+USE_TOOLS+=	cmake
+USE_CMAKE=	yes
+
+.include "../../mk/bsd.pkg.mk"
diff --git a/packmol/PLIST b/packmol/PLIST
new file mode 100644
index 0000000000..c94834c31e
--- /dev/null
+++ b/packmol/PLIST
@@ -0,0 +1,2 @@
+@comment $NetBSD$
+bin/packmol
diff --git a/packmol/distinfo b/packmol/distinfo
new file mode 100644
index 0000000000..0e9847299b
--- /dev/null
+++ b/packmol/distinfo
@@ -0,0 +1,6 @@
+$NetBSD$
+
+SHA1 (packmol-18.169.tar.gz) = 6489a047347479bc8b9af67e1dd2613cb75ed4cf
+RMD160 (packmol-18.169.tar.gz) = 8bf0b8335c49e48cbe45a41dc2316c00e166d084
+SHA512 (packmol-18.169.tar.gz) = 92da2d05a52c0883e05fc2a352032525d9206fd8612de879ef469ad36b819071f1040e7b794b72c4f1e566541b839c267f30d7401e14d89e2f7d22ba9fed3275
+Size (packmol-18.169.tar.gz) = 169840 bytes