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authorYuri Victorovich <yuri@FreeBSD.org>2022-10-04 02:38:26 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2022-10-04 02:40:28 +0000
commitfdff0a76080203275164e33d8892f6b2f9f0788d (patch)
treefb6d28631255eca3995d1e2eb124fbc1ff0232bc
parent6d3f32a7b149e669e3023ba4e244c073d1f01746 (diff)
downloadports-fdff0a76080203275164e33d8892f6b2f9f0788d.tar.gz
ports-fdff0a76080203275164e33d8892f6b2f9f0788d.zip
science/dssp: New port: Application to assign secondary structure to proteins
-rw-r--r--science/Makefile1
-rw-r--r--science/dssp/Makefile25
-rw-r--r--science/dssp/distinfo3
-rw-r--r--science/dssp/pkg-descr4
4 files changed, 33 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile
index 97d726fb641f..a05b9a0a20e2 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -74,6 +74,7 @@
SUBDIR += dkh
SUBDIR += dlib-cpp
SUBDIR += drawxtl
+ SUBDIR += dssp
SUBDIR += dvc
SUBDIR += dwave-preprocessing
SUBDIR += dynare
diff --git a/science/dssp/Makefile b/science/dssp/Makefile
new file mode 100644
index 000000000000..b1051eb1f8fb
--- /dev/null
+++ b/science/dssp/Makefile
@@ -0,0 +1,25 @@
+PORTNAME= dssp
+DISTVERSIONPREFIX= v
+DISTVERSION= 4.0.5
+CATEGORIES= science
+
+MAINTAINER= yuri@FreeBSD.org
+COMMENT= Application to assign secondary structure to proteins
+WWW= https://github.com/PDB-REDO/dssp
+
+LICENSE= BSD2CLAUSE
+LICENSE_FILE= ${WRKSRC}/LICENSE
+
+BUILD_DEPENDS= mrc:devel/mrc
+LIB_DEPENDS= libboost_iostreams.so:devel/boost-libs \
+ libcifpp.so:science/libcifpp
+
+USES= cmake:noninja compiler:c++17-lang # ninja breaks when mrc is present
+
+USE_GITHUB= yes
+GH_ACCOUNT= PDB-REDO
+
+PLIST_FILES= bin/mkdssp \
+ share/man/man1/mkdssp.1.gz
+
+.include <bsd.port.mk>
diff --git a/science/dssp/distinfo b/science/dssp/distinfo
new file mode 100644
index 000000000000..7f22289fb6f3
--- /dev/null
+++ b/science/dssp/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1664849148
+SHA256 (PDB-REDO-dssp-v4.0.5_GH0.tar.gz) = 759f8fd32c57dfc7c3eed5535d3bc04db13f7de1a5deda8862cebfafcbca84b0
+SIZE (PDB-REDO-dssp-v4.0.5_GH0.tar.gz) = 123019
diff --git a/science/dssp/pkg-descr b/science/dssp/pkg-descr
new file mode 100644
index 000000000000..2dd64408795f
--- /dev/null
+++ b/science/dssp/pkg-descr
@@ -0,0 +1,4 @@
+dssp-4 is a rewrite of DSSP, now offering full mmCIF support. The difference
+with previous releases of DSSP is that it now writes out an annotated mmCIF
+file by default, storing the secondary structure information in the
+_struct_conf category.