From chemistry-request@server.ccl.net Mon Mar 27 01:28:37 2000 Received: from wyrm.its.uow.edu.au (wyrm.its.uow.edu.au [130.130.68.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id BAA22671 for ; Mon, 27 Mar 2000 01:28:31 -0500 Received: from [130.130.56.52] (lab02.sci.uow.edu.au [130.130.56.52]) by wyrm.its.uow.edu.au (8.9.3/8.9.3) with ESMTP id QAA01097 for ; Mon, 27 Mar 2000 16:28:20 +1000 (EST) X-Sender: tttl01@pop.uow.edu.au (Unverified) Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Mon, 27 Mar 2000 16:19:43 +1000 To: CHEMISTRY@ccl.net From: Tien Luu Subject: Pharmacophores/CoMFA/QSAR Hello All, There is a lot of information about pharmacophore, CoMFA and QSAR techniques in the general literature, mainly outlining what they are and how they've been used in a particular case. But would anybody know of any recent articles or books that directly compare/critique these methods? I am looking for an unbiased and vigorous (and maybe even vicious) comparison/criticism. Thanks in advance Tien T. T. Luu Department of Chemistry, University of Wollongong Northfields Ave Wollongong, Australia 2522 Phone : (02) 42214334 Fax : (02) 42214287 Email : Tien_Luu@science.uow.edu.au From chemistry-request@server.ccl.net Mon Mar 27 06:25:44 2000 Received: from mail.sun.ac.za (mail.sun.ac.za [146.232.128.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA23910 for ; Mon, 27 Mar 2000 06:25:38 -0500 Received: from land.sun.ac.za ([146.232.216.2]) by mail.sun.ac.za with esmtp (Exim 2.10 #1) id 12ZXe2-0003YL-00 for chemistry@ccl.net; Mon, 27 Mar 2000 13:25:18 +0200 Received: from SUN_LAND/SpoolDir by land.sun.ac.za (Mercury 1.44); 27 Mar 00 13:25:18 +0200 Received: from SpoolDir by SUN_LAND (Mercury 1.44); 27 Mar 00 13:25:12 +0200 Received: from maties (146.232.209.204) by land.sun.ac.za (Mercury 1.44); 27 Mar 00 13:24:59 +0200 Reply-To: From: "Jan Dillen" To: Subject: Huckel MO for C60 Date: Mon, 27 Mar 2000 13:24:58 +0200 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 Importance: Normal Hi, Has anyone ever worked out how the secular determinant and energy levels in the Huckel approximation look for the C60 fullerene? I am just curious how they look in terms of alpha + x*beta. jd From chemistry-request@server.ccl.net Mon Mar 27 06:44:36 2000 Received: from scsx01.sc.ehu.es (root@scsx01.sc.ehu.es [158.227.150.40]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA24036 for ; Mon, 27 Mar 2000 06:43:16 -0500 Received: from sq.ehu.es (pobmelat@sqpx31.sq.ehu.es [158.227.108.131]) by scsx01.sc.ehu.es (8.9.3/8.9.1) with ESMTP id NAA18258 for ; Mon, 27 Mar 2000 13:42:36 +0200 (MET DST) Sender: pobmelat@sc.ehu.es Message-ID: <38DF49BA.FFE489AA@sq.ehu.es> Date: Mon, 27 Mar 2000 13:44:58 +0200 From: Txema Mercero Reply-To: espa@sq.ehu.es Organization: E.H.U. X-Mailer: Mozilla 4.51 [en] (X11; I; Linux 2.2.13 i686) X-Accept-Language: Spanish, es, en MIME-Version: 1.0 To: chemistry@server.ccl.net Subject: ESPA Conference Announcement Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id GAA24039 Dear Colleague, You are cordially invited to participate in the "Electronic Structure: Prediction and Applications" conference that will be held at San Sebastian (Donostia, in Basque language) from October 4 - 6, 2000. The Conference intends to bring together a broad audience of active researches ranging from condensed matter physicists to laboratory oriented organic chemists, going through the plethora of physical chemists, chemical physicists, computational/theoretical chemists and physicists, etc. You can realize that it is intended to be very ambitious. We will do our best to fulfill these expectations. The list of the topics covered is. 1. Femtosecond dynamics 2. Dielectric Response 3. DFT, including TDDFT 4. Change and Reactivity 5. Molecular Dynamics, Quantum Molecular Dynamics and Quantum Monte Carlo 6. QM/MM, Biochemical applications 7. Clusters 8. Transition Metal Chemistry, including Metallofullerenes 9. Solvent effects and water The list of invited speakers that have already confirmed their participation includes. 1. R. Saykally, Berkeley, USA 2. P.B. Armentrout, Salt Lake City, USA 3. R. Needs, Cambridge, UK 4. J. Inglesfield, Cardiff, UK 5. A. Eguliz, Oak Ridge National Lab., USA 6. L.A. Eriksson, Upssala, Sweden 7. R.J. Boyd, Dalhosie, Halifax, Canada 8. F. Martin, Madrid, Spain 9. U. Roethlisberger, ETH, Zurich, Switzerland 10. T. Clark, Erlagen, Germany 11. K. Hermansson, Upssala, Sweden 12. X. Lopez, Oxford, UK 13. M. Robb, London, UK 14. P. Siegbahn, Stockholm, Sweden 15. M. Yañez, Madrid, Spain 16. S. Shaik, Jerusalem, Israel 17. J.A. Alonso, Valladolid, Spain 18. M. Sodupe, Barcelona, Spain 19. R.W. Godby, Cambridge, UK 20. J. Sabin, Gainsville, Florida, USA 21. R. Amos, Cambridge, UK 22. S. Alvarez, Barcelona, Spain The Conference will be held at "Miramar Jauregia", a Palace by the sea. All sessions will be held at the same room. Due to the space limitations the organizing committee has set a maximum number of participants of 120 persons. Hence we urge you to complete an early preregistration at the following web site: http://www.sc.ehu.es/espa . The inscription will be carried out electronically by using the web page that we have prepared to that end, and that can be found at the web site of the conference. We would appreciate receiving your preregistration as soon as possible, at the latest on May 15, 2000. Accommodation is not expected to suppose any trouble for the participants, who are refereed to the web site of the Conference for more information about this point. As a matter of fact, we like to point it out that a very decent room in a Hotel within a walking distance from the Conference Palace, will cost approx. 8000 Ptas (50 Euro), including breakfast. Please be advised that accommodation will be your sole responsibility. Needless to say, that we will be happy to assist you just in case that you want us to do so. Please get in touch with us at the following e-mail address: espa@sq.ehu.es San Sebastian is located in Northern Spain very close to the France South border and it is surrounded by three airports. The closest is the airport of San Sebastian, which is 10 Km East. The Biarritz airport in France, is also close to San Sebastian at approximately 40 Km North. However, the major airport is at Bilbao, approximately at 100 Km West for San Sebastian. Transportation from Bilbao airport to San Sebastian is fluent by bus. They run from Bilbao downtown every 30 minutes. San Sebastian can also be conveniently reached by car, and traffic in the city is easy. By early October, mild weather conditions should be expected. For more information on this topic, please visit the following web site. http://my.netscape.com/weather/home.tmpl?city=08029&units=metric The International Journal of Quantum Chemistry has agreed to publish the Proceedings of the Conference in a Special Issue. Manuscript submission and handling procedures will be announced in the second circular. We will feel honored if you could consider to publish your contribution to the Conference in that issue. The organizing committee has set a tentative Inscription Fee of 30000 Ptas (180. Euro). For graduate students the Inscription Fee will 15000 Ptas (90. Euro). Further details will be given in the second circular. Finally, may I ask you to distribute this message to all of your colleagues that might be interested in the Conference. The organizing committee is pleased to thank you in advance for you help in the dissemination of this announcement. Please do not hesitate to contact us if you need further information. We look forward to your reply. Ana Arrieta Andres Arnau Jesus Ugalde (Local Organizing Committee) From chemistry-request@server.ccl.net Mon Mar 27 11:17:30 2000 Received: from interlock.amoco.com (texgate.amoco.com [204.149.20.10]) by server.ccl.net (8.8.7/8.8.7) with SMTP id LAA26233 for ; Mon, 27 Mar 2000 11:17:25 -0500 Received: by interlock.amoco.com id KAA12428 (InterLock SMTP Gateway 3.0 for CHEMISTRY@ccl.net); Mon, 27 Mar 2000 10:17:05 -0600 Received: by interlock.amoco.com (Protected-side Proxy Mail Agent-2); Mon, 27 Mar 2000 10:17:05 -0600 Received: by interlock.amoco.com (Protected-side Proxy Mail Agent-1); Mon, 27 Mar 2000 10:17:05 -0600 Message-Id: From: "Golab, Joseph T" To: "'CHEMISTRY@ccl.net'" Subject: Awards for Modeling Date: Mon, 27 Mar 2000 10:16:31 -0600 Mime-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2448.0) Content-Type: text/plain Dear List Members: How many awards exist for modeling? By "award", I mean scholarships, certificates, honorarium, organization awards, etc. By "modeling", I mean computational chemistry, molecular modeling, simulation, computational engineering, computational fluid dynamics, etc. Is there a web based (or other) documentation for any of these awards, i.e. what are the requirements for nomination, what is the award recognizing, etc.? I will summarize for the list. Thank you. :Joe golabjt@bp.com +1 630 961-7878 (SOCON 231-7878) From chemistry-request@server.ccl.net Mon Mar 27 11:28:46 2000 Received: from wavefun.com ([216.217.70.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA26294 for ; Mon, 27 Mar 2000 11:28:46 -0500 From: yu@wavefun.com Date: Mon, 27 Mar 2000 08:36:26 -0800 Message-Id: <10003270836.ZM19553@wavefun.com > In-Reply-To: "Alexander Shchepalov" "CCL:NDDO for d-elements" (Mar 25, 5:14pm) References: <008c01bf9664$775ec9e0$cbe4bec2@unn.runnet.ru> X-Mailer: Z-Mail-SGI (3.2S.3 08feb96 MediaMail) To: "Alexander Shchepalov" Subject: Re: CCL:NDDO for d-elements Cc: CHEMISTRY@ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii On Mar 25, 5:14pm, Alexander Shchepalov wrote: > Subject: CCL:NDDO for d-elements > > Dear CCL's, > > I'm looking for semi-empirical software for calculations molecules with > d-elements in NDDO aproximation. > > Alexander Shchepalov > > University of Nizhnii Novgorod, Russia All of three main stream semi-empirical methods, MNDO, AM1 and PM3, are based on NDDO approximation. SPARTAN series, developed by Wavefunction, supports d-function modules MNDOD and PM3(TM). Jianguo Yu -- +-----------------------+------------------+-------------------------+ |Jianguo Yu, Ph.D. | ______________ | E-Mail: yu@wavefun.com | |Computational Chemist | \ _________ / | Phone: (949)955-2120 | |Wavefunction Inc. | \ \\\\\\\\/ | Fax: (949)955-2118 | |18401 Von Karman | \ \\\\\/ | "The doctrines observe | |Suite 370 | \ \\/ | nature" | |Irvine, CA 92612 | \/ | Lao-tzu (604-531 B.C.)| +----------------------http://www.wavefun.com------------------------+ From chemistry-request@server.ccl.net Mon Mar 27 12:22:28 2000 Received: from jivdhan.unipune.ernet.in (jivdhan.unipune.ernet.in [196.1.114.31]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26625 for ; Mon, 27 Mar 2000 12:22:24 -0500 Received: from chem.unipune.ernet.in (chem.unipune.ernet.in [196.1.114.10]) by jivdhan.unipune.ernet.in (8.9.0/UnipuneMailhubV1.3) with ESMTP id WAA15795 for ; Mon, 27 Mar 2000 22:42:50 +0530 Received: from localhost (tcg@localhost) by chem.unipune.ernet.in (8.8.7/8.8.7) with SMTP id XAA26019 for ; Mon, 27 Mar 2000 23:15:34 +0530 Date: Mon, 27 Mar 2000 23:15:33 +0530 (IST) From: "Students of Dr. S.R. Gadre" To: chemistry@ccl.net Subject: stepit.c ? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi all! Can anybody tell me where I can get C code for stepit ( not the one converted using f2c). Thanks in advance Kamalakar Jadhav From chemistry-request@server.ccl.net Mon Mar 27 12:48:32 2000 Received: from NPD1.NPD.UFPE.BR (npd1.npd.ufpe.br [150.161.6.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26856 for ; Mon, 27 Mar 2000 12:48:12 -0500 Received: from Alfredo ([150.161.5.112]) by npd.ufpe.br (PMDF V5.1-4 #20469) with SMTP id <01JNJ4PS7A1C000O78@npd.ufpe.br> for CHEMISTRY@ccl.net; Mon, 27 Mar 2000 14:40:48 GMT-3 Date: Mon, 27 Mar 2000 14:45:42 -0300 From: Alfredo Mayall Simas Subject: NDDO - for d elements: Sparkles To: CHEMISTRY@ccl.net Message-id: MIME-version: 1.0 X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) Content-type: text/plain; charset="iso-8859-1" Content-transfer-encoding: 7bit Importance: Normal X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3110.3 On Mar 25, 5:14pm, Alexander Shchepalov wrote: Subject: CCL:NDDO for d-elements Dear CCL's, I'm looking for semi-empirical software for calculations molecules with d-elements in NDDO aproximation. Alexander Shchepalov University of Nizhnii Novgorod, Russia ----------------------------------------------------- Dear Alexander, Please consider using our Sparkle model which is a simple and very cost effective way of determining the geometries of metal complexes. Our model was introduced in 1994 ("Sparkle model for the quantum chemical AM1 calculation of europium complexes", Chem. Phys. Lett., 227(3) 349-353, 1994) for the purpose of obtaining geometries of lanthanide complexes. At the time we observed it could also be used to determine the geometries of d element complexes as well. Since then it has been used for determining not only geometries, but also electronic spectra, for the design of luminescent complexes, etc. Cundari and Saunders have also extended it to other elements. More recently, Puchta and Hommes showed that it could be used for gallium and lead complexes as well [J. Mol. Model. 6(2) 126-132, 2000]. The title of their paper is suggestive: "Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true" Alfredo Mayall Simas DQF/CCEN Universidade Federal de Pernambuco Recife, PE, Brazil From chemistry-request@server.ccl.net Mon Mar 27 13:06:00 2000 Received: from uni-paderborn.de (uni-paderborn.de [131.234.22.30]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA27363 for ; Mon, 27 Mar 2000 13:06:00 -0500 Received: from oc24 ([131.234.240.84]:2799 "EHLO uni-paderborn.de") by mail.uni-paderborn.de with ESMTP id ; Mon, 27 Mar 2000 20:05:29 +0200 Sender: ed@uni-paderborn.de Message-ID: <38DFA4F2.3D711441@uni-paderborn.de> Date: Mon, 27 Mar 2000 20:14:10 +0200 From: Edgar X-Mailer: Mozilla 4.7 [en] (X11; I; Linux 2.2.13-SMP i686) X-Accept-Language: en MIME-Version: 1.0 To: Lin Kui , "chemistry@ccl.net" Subject: Re: CCL:why autogrid3 can't run on my DEC alpha? References: <38DECE1F.43C42527@bic.nus.edu.sg> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi Lin Kui, we get the same error message, but already while running autodock3. Therefore I would like to ask you to send me your makefile. I would then let you know of any differences between your and our makefile. Yours Edgar -- Edgar Luttmann University of Paderborn, Germany Department of organic chemistry office: J6.302 Warburger Str. 100 phone: (+49) 5251 60-2498 33098 Paderborn eMail: edgar@upb.de From chemistry-request@server.ccl.net Mon Mar 27 10:21:34 2000 Received: from aquarius.ime.eb.br (aquarius.ime.eb.br [200.20.120.44]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA26008 for ; Mon, 27 Mar 2000 10:21:31 -0500 Received: from epq.ime.eb.br (epq.ime.eb.br [200.20.121.33]) by aquarius.ime.eb.br (8.9.1a/8.9.1) with ESMTP id MAA24585 for ; Mon, 27 Mar 2000 12:21:13 -0300 Received: from EPQ/SpoolDir by epq.ime.eb.br (Mercury 1.44); 27 Mar 00 12:25:34 -0200 Received: from SpoolDir by EPQ (Mercury 1.44); 27 Mar 00 12:25:15 -0200 Received: from sdio (200.20.123.210) by epq.ime.eb.br (Mercury 1.44); 27 Mar 00 12:25:10 -0200 Message-ID: <013101bf9800$a31138a0$d27b14c8@ime.eb.br> From: "Teodorico Ramalho" To: Subject: Cadmium complex Date: Mon, 27 Mar 2000 12:25:08 -0300 Dear CCL: Which programs (commercial or not) are available for the calculation of the cadmium complexes. I used semi-empirical pm3(tm), in PC Spartan Pro. But it is distorce the tetraedric geometry. There is 60 atoms in my complex. Can I use DFT ? Which basic sets I can use. I would appreciate any comments and hints to this problem and will summarize the answers if possible. With best regards Teodorico C. Ramalho IME From chemistry-request@server.ccl.net Mon Mar 27 14:53:25 2000 Received: from boris.3dp.com (boris.3dp.com [207.106.4.70]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA28360 for ; Mon, 27 Mar 2000 14:53:24 -0500 Received: from dimitris (dimitris.3dp.com [199.33.182.106]) by boris.3dp.com (8.9.3/8.9.3) with SMTP id OAA244470 for ; Mon, 27 Mar 2000 14:52:14 -0500 (EST) Reply-To: From: "Dimitris K. Agrafiotis" To: Subject: CWnd class for 3D molecule rendering Date: Mon, 27 Mar 2000 14:55:30 -0500 Message-ID: Does anyone have a free MFC control (CWnd or ActiveX) for simple 3D molecule rendering? Thanks in advance. --- Dimitris K. Agrafiotis, PhD | E-mail: dimitris@3dp.com 3-Dimensional Pharmaceuticals, Inc. | Tel: (610) 458-6045 665 Stockton Drive, Suite 104 | Fax: (610) 458-8249 Exton, PA 19341 From chemistry-request@server.ccl.net Mon Mar 27 18:00:15 2000 Received: from yakko.cimav.edu.mx (root@[207.248.161.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id SAA29071 for ; Mon, 27 Mar 2000 18:00:13 -0500 Received: from glossman ([207.248.161.148]) by yakko.cimav.edu.mx (8.9.3/8.9.3) with SMTP id QAA16593 for ; Mon, 27 Mar 2000 16:06:39 -0700 Message-ID: <015501bf9848$6dcbc000$94a1f8cf@cimav.edu.mx> From: "Dr. Daniel Glossman" To: "Computational Chemistry List" Subject: convergence problems Date: Mon, 27 Mar 2000 15:58:45 -0800 Dear netters: I am trying to get the energy of a molecule using the CBS-Q method included in G98. I've tried everything I found in the manuals and books, but it failed to converge. The molecule is a radical cation, positive 1,2,3-thiadiazole. For if there is somebody (with spare time) willing to try it and help me, I am including the input: %chk=23tcbsqp #p CBS-Q Test positive 1,2,3-thiadiazole - CBS-Q energy calculation 1 2 S N,1,R2 C,1,R3,2,A3 N,2,R4,1,A4,3,0.,0 C,3,R5,1,A5,2,0.,0 H,3,R6,1,A6,2,180.,0 H,5,R7,3,A7,1,180.,0 Variables: R2=1.67754496 R3=1.72225201 R4=1.19948006 R5=1.35757068 R6=1.075501 R7=1.07151657 A3=91.72935644 A4=107.53925482 A5=110.25406768 A6=122.34970766 A7=132.97856753 The input geometry comes from a geometry optimization at the HF/6-31(d'), which is the first step in the CBS-Q energy calculation. The process fail to converge during the 3rd step, that is, the MP2(full)/6-31G(d') geometry optimization. Any hints on how to solve this problem will be appreciated. Thanks in advance. Best regards = Dr. Daniel Glossman Mitnik *************************************************************************= *********** Dr. Daniel Glossman Mitnik Centro de Investigaci=F3n en Materiales Avanzados (CIMAV) Departamento de Pol=EDmeros = Phone: (52) 1 4391151 Miguel de Cervantes 120 = FAX: (52) 1 4391112 Complejo Industrial Chihuahua = E-mail: glossman@mail.cimav.edu.mx Chihuahua, Chih. 31109 = glossman@hotmail.com Mexico *************************************************************************= *********** From chemistry-request@server.ccl.net Mon Mar 27 19:41:27 2000 Received: from leonis.nus.edu.sg (leonis.nus.edu.sg [137.132.1.18]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id TAA29398 for ; Mon, 27 Mar 2000 19:41:26 -0500 Received: from bic.nus.edu.sg (arrakis.bic.nus.edu.sg [137.132.45.220]) by leonis.nus.edu.sg (8.9.3/8.9.3) with ESMTP id IAA04806; Tue, 28 Mar 2000 08:41:10 +0800 (SST) Sender: linkui@leonis.nus.edu.sg Message-ID: <38E001A1.D8B1DEA6@bic.nus.edu.sg> Date: Tue, 28 Mar 2000 08:49:37 +0800 From: Lin Kui Organization: BIC, NUS X-Mailer: Mozilla 4.51 [en] (X11; I; SunOS 5.7 sun4u) X-Accept-Language: en MIME-Version: 1.0 To: Edgar CC: "chemistry@ccl.net" Subject: Re: CCL:why autogrid3 can't run on my DEC alpha? References: <38DECE1F.43C42527@bic.nus.edu.sg> <38DFA4F2.3D711441@uni-paderborn.de> Content-Type: multipart/mixed; boundary="------------22FC5AE51EE9DB3022A82F5A" This is a multi-part message in MIME format. --------------22FC5AE51EE9DB3022A82F5A Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hello, Edgar, the attached file is the autogrid makefile I used to re-compile. Thanks a lot. Yours Kui Lin -- Kui Lin BIC-IMCB Bioinformatics Group Institute of Molecular and Cell Biology 30 Medical Drive, Singapore 117609 e-mail: linkui@bic.nus.edu.sg phone: (+65) 874-3367 --------------22FC5AE51EE9DB3022A82F5A Content-Type: text/plain; charset=us-ascii; name="Makefile" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="Makefile" # # Makefile to build AutoGrid from Object files. # # (c) 1999, TSRI # Garrett M. Morris # BIN = . OBJS = main.o \ check_size.o \ setflags.o \ timesys.o \ timesyshms.o \ printhms.o \ prHMSfixed.o \ printdate.o \ strindex.o \ banner.o \ gpfparser.o LNS = \ main.ln \ check_size.ln \ setflags.ln \ timesyshms.ln \ timesys.ln \ printhms.ln \ prHMSfixed.ln \ printdate.ln \ banner.ln \ gpfparser.ln \ strindex.ln LIB = -lm PROF = # no profiling # PROF = -p # for profilable code DBUG = # no debugging # DBUG = -g # for dbx # DBUG = -DDEBUG # turn on DEBUG code # CFLAGS = $(PROF) $(DBUG) # Silicon Graphics CFLAGS = -std -verbose $(PROF) $(DBUG) # DEC Alpha, Convex # CFLAGS = -Aa -D_HPUX_SOURCE $(PROF) $(DBUG) # Hewlett-Packard # OPT = -O3 -n32 -mips4 $(CFLAGS) # IRIX64 Silicon Graphics # OPT = -O3 -r4000 $(CFLAGS) # IRIX5 Silicon Graphics OPT = -O4 -ifo $(CFLAGS) # DEC Alpha # OPT = -O2 -ur $(CFLAGS) # Convex # OPT = -O2 $(CFLAGS) # Sun # OPT = -O +O3 +Obb2048 $(CFLAGS) # Hewlett-Packard # OPT = $(CFLAGS) # -g debugging # OPTLIM = # Sun, Silicon Graphics Octane/IRIX6 OPTLIM = -Olimit 2048 # Hewlett-Packard, DEC Alpha # OPTLIM = # Convex # OPTLIM = # -g debugging LINKOPT = $(OPT) # most compilers # LINKOPT = -O2 -r4000 $(CFLAGS) # IRIX5 Silicon Graphics LINT = lint # C code checking LINTFLAGS = $(LIB) -lansi -c # DEC-Alpha # MA # LINTFLAGS = -DHPPA -D_HPUX_SOURCE -Aa $(LIB) -c # HP/Hewlett-Packard # LINTFLAGS = -Aa $(LIB) -c # HP/Hewlett-Packard Alt # LINTFLAGS = $(LIB) -n -lansic # Sun Sparc autogrid3 : $(OBJS) echo $(BIN) on `date` using' >>> ' `hostname` ' <<<' >> LATEST_MAKE $(CC) $(LINKOPT) -o $@ $(OBJS) $(LIB) convertmap : convertmap.o $(CC) $(OPT) -o $@ convertmap.o $(LIB) lcheck : $(LNS) $(LINT) -lansi $(LIB) $(LNS) main.o : main.c autogrid.h autoglobal.h $(CC) $(OPT) $(OPTLIM) -c main.c check_size.o : check_size.c autogrid.h $(CC) $(OPT) -c check_size.c setflags.o : setflags.c autogrid.h $(CC) $(OPT) -c setflags.c timesyshms.o : timesyshms.c autogrid.h $(CC) $(OPT) -c timesyshms.c timesys.o : timesys.c autogrid.h $(CC) $(OPT) -c timesys.c printhms.o : printhms.c autogrid.h $(CC) $(OPT) -c printhms.c prHMSfixed.o : prHMSfixed.c autogrid.h $(CC) $(OPT) -c prHMSfixed.c printdate.o : printdate.c autogrid.h $(CC) $(OPT) -c printdate.c banner.o : banner.c autogrid.h $(CC) $(OPT) -c banner.c gpfparser.o : gpfparser.c autogrid.h gpftoken.h $(CC) $(OPT) -c gpfparser.c strindex.o : strindex.c autogrid.h $(CC) $(OPT) -c strindex.c convertmap.o : convertmap.c $(CC) $(OPT) -c convertmap.c # # lcheck dependencies... # main.ln : main.c autogrid.h autoglobal.h $(LINT) $(LINTFLAGS) $? check_size.ln : check_size.c autogrid.h $(LINT) $(LINTFLAGS) $? setflags.ln : setflags.c autogrid.h $(LINT) $(LINTFLAGS) $? timesyshms.ln : timesyshms.c autogrid.h $(LINT) $(LINTFLAGS) $? timesys.ln : timesys.c autogrid.h $(LINT) $(LINTFLAGS) $? printhms.ln : printhms.c autogrid.h $(LINT) $(LINTFLAGS) $? prHMSfixed.ln : prHMSfixed.c autogrid.h $(LINT) $(LINTFLAGS) $? printdate.ln : printdate.c autogrid.h $(LINT) $(LINTFLAGS) $? banner.ln : banner.c autogrid.h $(LINT) $(LINTFLAGS) $? gpfparser.ln : gpfparser.c autogrid.h gpftoken.h $(LINT) $(LINTFLAGS) $? strindex.ln : strindex.c autogrid.h $(LINT) $(LINTFLAGS) $? # # Remove objects, lint files, cores, etc. # clean: /bin/rm -rf *.o *.s *.ln a.out core autogrid3 convertmap # # DEC Alpha # openalpha : /bin/cp -f obj.alpha/*.o . /bin/cp -f obj.alpha/*.ln . closealpha : /bin/mv -f *.o obj.alpha /bin/mv -f *.ln obj.alpha # # Convex # openc2 : /bin/cp -f obj.c2/*.o . /bin/cp -f obj.c2/*.ln . closec2 : /bin/mv -f *.o obj.c2 /bin/mv -f *.ln obj.c2 # # Hewlett-Packard Precision Architecture # openhppa : /bin/cp -f obj.hppa/*.o . /bin/cp -f obj.hppa/*.ln . closehppa : /bin/mv -f *.o obj.hppa /bin/mv -f *.ln obj.hppa # # Silicon Graphics # opensgi4D : /bin/cp -f obj.sgi4D/*.o . /bin/cp -f obj.sgi4D/*.ln . closesgi4D : /bin/mv -f *.o obj.sgi4D /bin/mv -f *.ln obj.sgi4D # # Sun # opensun4 : /bin/cp -f obj.sun4/*.o . /bin/cp -f obj.sun4/*.ln . closesun4 : /bin/mv -f *.o obj.sun4 /bin/mv -f *.ln obj.sun4 # # Architecture # openxxx : /bin/cp -f obj.xxx/*.o . /bin/cp -f obj.xxx/*.ln . closexxx : /bin/mv -f *.o obj.xxx /bin/mv -f *.ln obj.xxx --------------22FC5AE51EE9DB3022A82F5A--