mopac: Semi-empirical (MNDO, etc.) molecular orbital calculation

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

Module Name:	pkgsrc-wip
Committed By:	Jason W. Bacon <bacon%NetBSD.org@localhost>
Pushed By:	outpaddling
Date:		Tue Jun 20 15:38:30 2023 -0500
Changeset:	a0eada2390a65c1f7de917a1e269b3a886302388

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

Log Message:
mopac: Semi-empirical (MNDO, etc.) molecular orbital calculation

MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) quantum-chemical
calculation written by James J. P. Stewart and co-workers.

To see a diff of this commit:
https://wip.pkgsrc.org/cgi-bin/gitweb.cgi?p=pkgsrc-wip.git;a=commitdiff;h=a0eada2390a65c1f7de917a1e269b3a886302388

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

diffstat:
 Makefile       |  1 +
 mopac/DESCR    |  2 ++
 mopac/Makefile | 25 +++++++++++++++++++++++++
 mopac/PLIST    |  6 ++++++
 mopac/distinfo |  5 +++++
 5 files changed, 39 insertions(+)

diffs:
diff --git a/Makefile b/Makefile
index e68bea8ef2..3d95db9b91 100644
--- a/Makefile
+++ b/Makefile
@@ -2412,6 +2412,7 @@ SUBDIR+=	mono
 SUBDIR+=	mono-git
 SUBDIR+=	mono-zeroconf
 SUBDIR+=	mop
+SUBDIR+=	mopac
 SUBDIR+=	mopac7
 SUBDIR+=	moregroupware
 SUBDIR+=	morse
diff --git a/mopac/DESCR b/mopac/DESCR
new file mode 100644
index 0000000000..18229a7d33
--- /dev/null
+++ b/mopac/DESCR
@@ -0,0 +1,2 @@
+MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) quantum-chemical
+calculation written by James J. P. Stewart and co-workers.
diff --git a/mopac/Makefile b/mopac/Makefile
new file mode 100644
index 0000000000..5f1ae50853
--- /dev/null
+++ b/mopac/Makefile
@@ -0,0 +1,25 @@
+# $NetBSD$
+#
+###########################################################
+#                  Generated by fbsd2pkg                  #
+#              Tue Jun 20 12:08:10 CDT 2023               #
+###########################################################
+
+DISTNAME=	mopac-22.0.6
+# FIXME: this is not a biology tool
+CATEGORIES=	biology science
+MASTER_SITES=	${MASTER_SITE_GITHUB:=openmopac/}
+GITHUB_TAG=	v${PKGVERSION_NOREV}
+
+OWNER=		bacon%NetBSD.org@localhost
+HOMEPAGE=	http://openmopac.net/
+COMMENT=	Semi-empirical (MNDO, etc.) molecular orbital calculation
+LICENSE=	gnu-gpl-v3
+
+USE_LANGUAGES=	c c++ fortran
+
+.include "../../mk/blas.buildlink3.mk"
+.include "../../devel/cmake/build.mk"
+.include "../../math/py-numpy/buildlink3.mk"
+.include "../../lang/python/application.mk"
+.include "../../mk/bsd.pkg.mk"
diff --git a/mopac/PLIST b/mopac/PLIST
new file mode 100644
index 0000000000..0606d527d7
--- /dev/null
+++ b/mopac/PLIST
@@ -0,0 +1,6 @@
+@comment $NetBSD$
+bin/mopac
+bin/mopac-makpol
+bin/mopac-param
+lib/libmopac.so
+lib/libmopac.so.1
diff --git a/mopac/distinfo b/mopac/distinfo
new file mode 100644
index 0000000000..6cfad7324e
--- /dev/null
+++ b/mopac/distinfo
@@ -0,0 +1,5 @@
+$NetBSD$
+
+BLAKE2s (mopac-22.0.6.tar.gz) = 8e8c3e1a696f6c8b5cca182bd216415b95907688d6b5007790cecdf5c43c1108
+SHA512 (mopac-22.0.6.tar.gz) = 52810891ba2cfddf067f672aad7e242752fcb724e5c98dfc80409a8d6598ca0ee93c6698a92fabc6be57cf6fe0829b970589a754ca86e08ccb9be9556b8fcfc4
+Size (mopac-22.0.6.tar.gz) = 15785203 bytes