git: 4a9dc8042351 - main - science/kplib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=4a9dc80423516032797f52d313a786892395f251

commit 4a9dc80423516032797f52d313a786892395f251
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-07-17 06:02:16 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-07-17 06:28:14 +0000

    science/kplib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid
---
 science/Makefile        |  1 +
 science/kplib/Makefile  | 31 +++++++++++++++++++++++++++++++
 science/kplib/distinfo  |  3 +++
 science/kplib/pkg-descr |  7 +++++++
 4 files changed, 42 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index aa586dc7cb5b..cdf4776d6074 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -123,6 +123,7 @@
     SUBDIR += jstrack
     SUBDIR += kalzium
     SUBDIR += kim-api
+    SUBDIR += kplib
     SUBDIR += kst2
     SUBDIR += lammps
     SUBDIR += lamprop
diff --git a/science/kplib/Makefile b/science/kplib/Makefile
new file mode 100644
index 000000000000..640ae04db7a4
--- /dev/null
+++ b/science/kplib/Makefile
@@ -0,0 +1,31 @@
+PORTNAME=	kplib
+DISTVERSION=	1.0.5
+CATEGORIES=	science
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Library for finding optimal Generalized Monkhorst-Pack k-points grid
+
+LICENSE=	APACHE20
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake compiler:c++11-lang
+USE_LDCONFIG=	yes
+
+USE_GITLAB=	yes
+GL_ACCOUNT=	muellergroup
+GL_COMMIT=	9f96d56d32f67a019066025e044dcd9e3b3316ea
+
+PLIST_FILES=	include/kPointLattice.h \
+		include/kPointLatticeGenerator.h \
+		include/msmath.h \
+		lib/libkpoints.a \
+		lib/libkpoints.so
+
+do-install:
+	${INSTALL_DATA} ${WRKSRC}/src/msmath.h ${STAGEDIR}${PREFIX}/include
+	${INSTALL_DATA} ${WRKSRC}/src/kPointLattice.h ${STAGEDIR}${PREFIX}/include
+	${INSTALL_DATA} ${WRKSRC}/src/kPointLatticeGenerator.h ${STAGEDIR}${PREFIX}/include
+	${INSTALL_LIB} ${BUILD_WRKSRC}/libkpoints.so ${STAGEDIR}${PREFIX}/lib
+	${INSTALL_DATA} ${BUILD_WRKSRC}/libkpoints.a ${STAGEDIR}${PREFIX}/lib
+
+.include <bsd.port.mk>
diff --git a/science/kplib/distinfo b/science/kplib/distinfo
new file mode 100644
index 000000000000..a808f305a6e5
--- /dev/null
+++ b/science/kplib/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1658037110
+SHA256 (muellergroup-kplib-9f96d56d32f67a019066025e044dcd9e3b3316ea_GL0.tar.gz) = c6d99d9d39bbc7210bb089b5e235ec47f2b0b26e2a22a0cc8b68d25c48fca9fd
+SIZE (muellergroup-kplib-9f96d56d32f67a019066025e044dcd9e3b3316ea_GL0.tar.gz) = 2963334
diff --git a/science/kplib/pkg-descr b/science/kplib/pkg-descr
new file mode 100644
index 000000000000..85bac397b280
--- /dev/null
+++ b/science/kplib/pkg-descr
@@ -0,0 +1,7 @@
+KpLib is a C++ library for finding the optimal Generalized
+Monkhorst-Pack k-points grid. It can be imported into
+electronic-structure packages as a generator of efficient
+generalized k-point grids, or be integrated into user scripts through
+the python interface.
+
+WWW: https://gitlab.com/muellergroup/kplib