mirror of
https://git.FreeBSD.org/ports.git
synced 2025-01-03 06:04:53 +00:00
mol2ps is a freely available command-line utility program which reads
molecular structure files in different formats and generates Postscript output for 2D display. The Postscript file can then be used e.g. for creating a bitmap file, using a Postscript interpreter like Ghostscript. WWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/mol2ps.html PR: ports/138673 Feature safe: yes Submitted by: Fernan Aguero <fernan at iib.unsam.edu.ar>
This commit is contained in:
Martin Wilke
parent
4d72a8bd98
commit
5b58e2bcf9
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=241712
@ -83,6 +83,7 @@
|
||||
SUBDIR += medit
|
||||
SUBDIR += minc
|
||||
SUBDIR += minc2
|
||||
SUBDIR += mol2ps
|
||||
SUBDIR += mpb
|
||||
SUBDIR += mpqc
|
||||
SUBDIR += mpqc-mpich
|
||||
|
||||
31
science/mol2ps/Makefile
Normal file
31
science/mol2ps/Makefile
Normal file
@ -0,0 +1,31 @@
|
||||
# New ports collection makefile for: mol2ps
|
||||
# Date created: 23 Feb 2009
|
||||
# Whom: Fernan Aguero <fernan@iib.unsam.edu.ar>
|
||||
#
|
||||
# $FreeBSD$
|
||||
#
|
||||
|
||||
PORTNAME= mol2ps
|
||||
PORTVERSION= 0.1e
|
||||
CATEGORIES= science
|
||||
MASTER_SITES= http://merian.pch.univie.ac.at/pch/download/chemistry/${PORTNAME}/
|
||||
DISTNAME= ${PORTNAME}
|
||||
EXTRACT_SUFX= .pas
|
||||
|
||||
MAINTAINER= fernan@iib.unsam.edu.ar
|
||||
COMMENT= Read molecular structure files and generate Postscript output
|
||||
|
||||
USE_FPC= yes
|
||||
|
||||
do-extract:
|
||||
@${RM} -rf ${WRKDIR}
|
||||
@${MKDIR} ${WRKDIR}
|
||||
${CP} ${DISTDIR}/${DISTFILES} ${WRKDIR}/
|
||||
do-build:
|
||||
cd ${WRKDIR}; ${LOCALBASE}/bin/fpc ${DISTFILES} -S2 -O3 -Op3
|
||||
do-install:
|
||||
${INSTALL_PROGRAM} ${WRKDIR}/${PORTNAME} ${PREFIX}/bin
|
||||
@${MKDIR} ${DATADIR}
|
||||
${INSTALL_DATA} ${FILESDIR}/color.conf ${DATADIR}
|
||||
|
||||
.include <bsd.port.mk>
|
||||
3
science/mol2ps/distinfo
Normal file
3
science/mol2ps/distinfo
Normal file
@ -0,0 +1,3 @@
|
||||
MD5 (mol2ps.pas) = 9bc6475e8d54827dca10a9b9a1994d61
|
||||
SHA256 (mol2ps.pas) = 9e8b46132b8d1f5baea08231c04dd5a3051c52b5ca8da5a38141753a1344506f
|
||||
SIZE (mol2ps.pas) = 165111
|
||||
114
science/mol2ps/files/color.conf
Normal file
114
science/mol2ps/files/color.conf
Normal file
@ -0,0 +1,114 @@
|
||||
H 0 0 0
|
||||
D 0 0 255
|
||||
T 0 0 255
|
||||
He 255 51 204
|
||||
Li 102 0 0
|
||||
Be 0 204 102
|
||||
B 0 255 51
|
||||
C 255 0 51
|
||||
N 0 0 255
|
||||
O 204 51 0
|
||||
F 255 153 51
|
||||
Ne 255 51 204
|
||||
Na 0 0 255
|
||||
Mg 51 102 51
|
||||
Al 153 153 153
|
||||
Si 255 153 51
|
||||
P 255 204 0
|
||||
S 255 204 51
|
||||
Cl 0 255 51
|
||||
Ar 255 51 204
|
||||
K 255 51 204
|
||||
Ca 153 153 153
|
||||
Sc 255 51 204
|
||||
Ti 255 51 204
|
||||
V 255 51 204
|
||||
Cr 0 255 102
|
||||
Mn 153 153 153
|
||||
Fe 255 204 0
|
||||
Co 255 51 204
|
||||
Ni 153 51 51
|
||||
Cu 204 102 0
|
||||
Zn 204 102 204
|
||||
Ga 255 51 204
|
||||
Ge 255 51 204
|
||||
As 255 51 204
|
||||
Se 255 51 204
|
||||
Br 204 102 0
|
||||
Kr 255 51 204
|
||||
Rb 255 51 204
|
||||
Sr 255 51 204
|
||||
Y 255 51 204
|
||||
Zr 255 51 204
|
||||
Nb 255 51 204
|
||||
Mo 255 51 204
|
||||
Tc 255 51 204
|
||||
Ru 255 51 204
|
||||
Rh 255 51 204
|
||||
Pd 255 51 204
|
||||
Ag 153 153 153
|
||||
Cd 255 51 204
|
||||
In 255 51 204
|
||||
Sn 255 51 204
|
||||
Sb 255 51 204
|
||||
Te 255 51 204
|
||||
I 255 0 204
|
||||
Xe 255 51 204
|
||||
Cs 255 51 204
|
||||
Ba 255 51 204
|
||||
Lu 255 51 204
|
||||
Hf 255 51 204
|
||||
Ta 255 51 204
|
||||
W 255 51 204
|
||||
Re 255 51 204
|
||||
Os 255 51 204
|
||||
Ir 255 51 204
|
||||
Pt 255 51 204
|
||||
Au 255 51 204
|
||||
Hg 255 51 204
|
||||
Tl 255 51 204
|
||||
Pb 255 51 204
|
||||
Bi 255 51 204
|
||||
Po 255 51 204
|
||||
At 255 51 204
|
||||
Rn 255 51 204
|
||||
Fr 255 51 204
|
||||
Ra 255 51 204
|
||||
Lr 255 51 204
|
||||
Rf 255 51 204
|
||||
Db 255 51 204
|
||||
Sg 255 51 204
|
||||
Bh 255 51 204
|
||||
Hs 255 51 204
|
||||
Mt 255 51 204
|
||||
Ds 255 51 204
|
||||
Rg 255 51 204
|
||||
Uu 255 51 204
|
||||
La 255 51 204
|
||||
Ce 255 51 204
|
||||
Pr 255 51 204
|
||||
Nd 255 51 204
|
||||
Pm 255 51 204
|
||||
Sm 255 51 204
|
||||
Eu 255 51 204
|
||||
Gd 255 51 204
|
||||
Tb 255 51 204
|
||||
Dy 255 51 204
|
||||
Ho 255 51 204
|
||||
Er 255 51 204
|
||||
Tm 255 51 204
|
||||
Yb 255 51 204
|
||||
Ac 255 51 204
|
||||
Th 255 51 204
|
||||
Pa 255 51 204
|
||||
U 255 51 204
|
||||
Np 255 51 204
|
||||
Pu 255 51 204
|
||||
Am 255 51 204
|
||||
Cm 255 51 204
|
||||
Bk 255 51 204
|
||||
Cf 255 51 204
|
||||
Es 255 51 204
|
||||
Fm 255 51 204
|
||||
Md 255 51 204
|
||||
No 255 51 204
|
||||
7
science/mol2ps/pkg-descr
Normal file
7
science/mol2ps/pkg-descr
Normal file
@ -0,0 +1,7 @@
|
||||
mol2ps is a freely available command-line utility program which reads
|
||||
molecular structure files in different formats and generates
|
||||
Postscript output for 2D display. The Postscript file can then be used
|
||||
e.g. for creating a bitmap file, using a Postscript interpreter like
|
||||
Ghostscript.
|
||||
|
||||
WWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/mol2ps.html
|
||||
3
science/mol2ps/pkg-plist
Normal file
3
science/mol2ps/pkg-plist
Normal file
@ -0,0 +1,3 @@
|
||||
bin/mol2ps
|
||||
%%DATADIR%%/color.conf
|
||||
@dirrm %%DATADIR%%
|
||||
Loading…
Reference in New Issue
Block a user