Maho Nakata
9a350d5d7a
remove extra dir
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Submitted by: kris via pointyhat
2005-02-06 12:10:47 +00:00
Maho Nakata
f728c099c7
fix pkg-plist
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Submitted by: kris via pointyhat
2005-01-20 05:46:19 +00:00
Kris Kennaway
6ec2397837
BROKEN on 4.x: Does not compile
2004-12-11 21:50:01 +00:00
Maho Nakata
1f75a4186c
Fix build with WITH_OPTIMIZED_FLAGS defined
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PR: 74013
Submitted by: Jie Gao <gaoj at cpsc.ucalgary.ca>
2004-11-23 02:16:19 +00:00
Maho Nakata
111621a324
Fix build on 5-STABLE
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Submitted by: pointyhat
2004-09-03 02:43:49 +00:00
Ade Lovett
328b757bf2
Autotools cleanup. Remove autoconf257 (259), automake17 (18), and
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libtool14 (13/15).
PR: 67768
Submitted by: ade
Approved by: 4-exp bento runs (thanks, kris!)
2004-07-01 17:06:41 +00:00
Maho Nakata
4e3925c125
update to 3.2.1
2004-06-16 07:14:49 +00:00
Maho Nakata
c72ea155ce
Make portlint happy by replacing space to tab
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PR: 65409
Submitted by: trevor
2004-05-06 19:49:54 +00:00
Maho Nakata
4049153e20
1) add documents
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2) add note for citation in pkg-message
2004-03-19 10:02:05 +00:00
Maho Nakata
416fa53bb8
The PSI3 suite of quantum chemical programs is designed for efficient,
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high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
2004-03-19 09:32:49 +00:00
